data_2hgh_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 2hgh _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 core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.824 0.345 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.09 124.53 50.92 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.306 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.01 139.11 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.986 0.422 . . . . 0.0 111.628 -169.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.2 t -77.8 127.02 31.74 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.397 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -109.08 23.82 14.0 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -61.73 153.38 28.52 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.94 114.71 2.03 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.75 14.98 8.08 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.69 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.63 -79.63 0.22 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.674 0.273 . . . . 0.0 110.977 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.45 15.22 80.46 Favored Glycine 0 CA--C 1.555 2.573 0 CA-C-N 116.354 -0.385 . . . . 0.0 113.455 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -71.09 143.35 50.68 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 117.498 0.649 . . . . 0.0 110.688 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 137.51 54.86 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -126.2 154.68 42.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.273 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -66.93 -37.97 85.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.313 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -135.63 148.98 49.2 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.697 0.284 . . . . 0.0 110.803 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -66.31 -28.97 69.09 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -170.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -30.42 71.42 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 122.379 -0.201 . . . . 0.0 110.78 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -73.16 -37.55 66.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.59 0.233 . . . . 0.0 110.683 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.95 -47.13 86.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.693 0.282 . . . . 0.0 110.492 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.27 -39.32 86.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 t -59.2 -41.17 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.53 -44.99 69.85 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.214 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.34 -31.87 72.92 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.334 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.9 55.08 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.888 175.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.74 -46.56 71.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 122.481 -0.137 . . . . 0.0 111.197 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.77 -36.3 83.87 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.839 0.352 . . . . 0.0 111.142 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 p -82.34 -18.85 40.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 30.41 16.94 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.342 0.657 . . . . 0.0 111.955 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.99 156.45 43.78 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.617 0.246 . . . . 0.0 110.378 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.71 131.27 28.4 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.095 -169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -79.04 -37.88 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.587 2.191 . . . . 0.0 113.288 -170.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.48 97.56 9.53 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.756 0.312 . . . . 0.0 110.6 -169.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.36 142.98 31.09 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 120.833 0.349 . . . . 0.0 110.948 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.95 121.24 84.63 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.23 4.74 4.61 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.851 2.368 . . . . 0.0 113.188 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.93 146.45 54.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.022 0.439 . . . . 0.0 111.009 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.54 118.44 9.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.08 65.73 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.602 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -109.75 155.83 21.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.854 0.359 . . . . 0.0 110.701 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -148.03 13.53 1.0 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -66.07 144.77 56.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.732 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -131.84 151.82 51.42 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -133.97 160.21 38.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.13 -169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.8 p -83.42 -29.18 28.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.516 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.72 155.02 81.03 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 120.607 0.241 . . . . 0.0 110.8 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.471 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.6 Cg_endo -66.33 -36.85 26.01 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.447 2.098 . . . . 0.0 112.145 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 55.6 m -65.92 -31.34 72.21 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.042 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -72.54 -39.19 67.71 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.889 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp -66.13 -44.82 83.14 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -55.62 -42.32 74.74 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.11 90.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.727 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.26 -36.97 79.02 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.621 0.248 . . . . 0.0 111.185 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -58.72 -31.53 68.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 120.727 0.298 . . . . 0.0 110.842 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -59.78 -25.77 65.18 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.287 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.73 -40.89 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-O 120.659 0.266 . . . . 0.0 110.596 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.94 -30.14 55.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.24 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -73.05 -29.07 62.7 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.957 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.3 173.61 47.35 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.7 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.14 94.76 44.88 Favored Pre-proline 0 C--O 1.235 0.306 0 C-N-CA 122.684 0.394 . . . . 0.0 110.173 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.63 140.56 14.96 Favored 'Trans proline' 0 N--CA 1.445 -1.354 0 C-N-CA 122.295 1.996 . . . . 0.0 112.183 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.88 143.22 52.86 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -142.34 12.13 1.95 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.542 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -67.06 -23.37 65.86 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -148.63 144.05 26.94 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.85 -28.05 69.29 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.42 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.1 m -96.96 17.19 17.46 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.204 0.202 . . . . 0.0 111.326 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.01 159.03 15.35 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.0 p -149.93 3.8 0.54 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -64.69 139.68 58.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.683 0.278 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.29 120.32 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.181 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.84 134.7 12.86 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.122 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.05 -14.81 63.26 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 122.813 -0.228 . . . . 0.0 111.357 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 161.3 42.92 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.838 0.352 . . . . 0.0 110.486 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -58.13 -40.03 80.26 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.292 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -56.96 -47.05 81.65 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.016 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.28 -33.84 75.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.323 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -70.11 -48.19 58.62 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.594 0.235 . . . . 0.0 110.553 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.06 -42.04 93.65 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -66.58 -39.41 88.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -61.93 -41.37 97.87 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.62 0.248 . . . . 0.0 110.804 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.6 -45.09 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.87 73.13 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.172 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -89.22 -39.05 13.79 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.745 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.83 -18.88 16.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -169.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.55 0.958 0 CA-C-O 120.967 0.413 . . . . 0.0 110.842 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.934 0.397 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.18 123.77 49.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.252 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.16 139.11 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.904 -169.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.8 t -79.07 130.56 35.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.458 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -112.37 24.61 12.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.944 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.22 154.91 22.2 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.111 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.37 114.77 2.13 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.884 0.373 . . . . 0.0 111.131 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.88 14.95 7.94 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.674 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 52.0 t -84.18 -78.46 0.24 Allowed 'General case' 0 CA--C 1.562 1.427 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.24 13.32 76.69 Favored Glycine 0 CA--C 1.554 2.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.394 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -69.44 143.79 53.48 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.546 0.673 . . . . 0.0 110.644 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.54 138.5 54.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -126.24 156.62 40.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HE2' ' HZ2' ' A' ' 118' ' ' LYS . 73.5 tttt -65.53 -41.16 93.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.126 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HZ2' ' HE2' ' A' ' 117' ' ' LYS . 12.7 mmtp -133.18 146.14 51.25 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.757 0.313 . . . . 0.0 110.707 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -63.22 -28.62 70.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -63.94 -32.7 74.33 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 122.267 -0.271 . . . . 0.0 110.838 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -73.01 -37.39 66.97 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.651 0.263 . . . . 0.0 110.641 172.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.82 -47.11 87.85 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.652 0.263 . . . . 0.0 110.519 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -59.1 -41.53 88.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.723 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.19 -41.23 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -67.3 -44.57 78.89 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.62 0.247 . . . . 0.0 111.133 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.99 -31.72 73.0 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.283 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -28.87 52.41 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.814 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t -68.36 -47.19 68.08 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.412 -0.18 . . . . 0.0 111.22 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.68 -36.34 83.54 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.3 p -81.93 -18.09 44.83 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.94 17.1 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 123.318 0.647 . . . . 0.0 111.849 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.91 155.87 46.02 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.251 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 mt -95.06 132.52 27.92 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.105 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -78.72 -36.87 0.73 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.509 2.139 . . . . 0.0 113.243 -171.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.538 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.2 m-85 -99.57 91.75 5.04 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.476 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -98.39 143.03 29.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.87 120.21 80.1 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.495 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -92.14 5.8 3.47 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 C-N-CA 122.873 2.382 . . . . 0.0 113.317 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.91 150.62 40.75 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.054 0.454 . . . . 0.0 110.941 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.82 133.83 52.8 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.12 3.35 90.68 Favored Glycine 0 CA--C 1.55 2.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.803 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -120.26 152.86 37.16 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -149.85 16.85 0.88 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.423 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -64.45 149.59 48.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 -135.23 151.35 50.52 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 120.881 0.372 . . . . 0.0 110.476 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -134.08 159.51 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.083 -169.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.6 p -88.05 -15.6 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 -174.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.2 mt -142.34 154.18 63.63 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.71 0.29 . . . . 0.0 111.031 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.5 Cg_endo -65.9 -31.65 46.99 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.57 2.18 . . . . 0.0 112.42 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 p -63.85 -38.26 90.45 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.43 -39.05 71.29 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.2 -46.35 87.42 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.772 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.0 -37.51 82.78 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -69.45 -34.0 73.75 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.483 0.182 . . . . 0.0 110.853 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.8 -37.96 79.61 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.53 0.205 . . . . 0.0 111.135 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -58.59 -31.14 67.75 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.656 0.265 . . . . 0.0 110.895 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.46 -25.71 64.63 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.084 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.74 -42.75 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-O 120.641 0.258 . . . . 0.0 110.512 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -74.9 -29.39 60.97 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.321 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.98 63.5 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.823 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.68 170.41 41.9 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 116.398 -0.365 . . . . 0.0 112.475 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -124.19 94.8 44.73 Favored Pre-proline 0 CA--C 1.538 0.497 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.15 145.42 17.25 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.477 2.118 . . . . 0.0 112.597 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 138.28 46.71 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.019 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.25 12.75 3.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.537 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -67.94 -23.03 65.02 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.088 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.82 145.46 24.97 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.86 -27.22 68.06 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.451 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 88.0 p -93.63 16.37 13.99 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.07 136.61 52.51 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.9 m -134.22 16.08 3.79 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.437 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.8 139.78 58.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.616 0.246 . . . . 0.0 110.799 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.42 123.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.419 170.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.39 139.63 16.17 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 121.234 -0.507 . . . . 0.0 112.057 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -69.45 -17.72 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 122.878 -0.189 . . . . 0.0 111.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.96 161.51 41.75 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 120.908 0.385 . . . . 0.0 110.444 175.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -57.66 -40.2 78.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.429 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.6 p -57.29 -45.45 84.1 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.094 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.278 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -69.08 -48.24 63.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.617 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.97 -41.06 95.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.4 -41.56 96.59 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.83 -42.45 99.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.8 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 14.5 t -61.87 -45.08 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.017 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.88 74.33 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -89.22 -32.59 17.36 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.882 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.1 m -107.32 -19.72 13.5 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.07 122.8 48.04 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -109.0 139.07 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.755 -169.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.1 t -78.69 129.38 34.64 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.495 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -111.3 24.77 12.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.88 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.27 154.43 23.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.67 114.74 1.99 Allowed 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 t30 69.78 15.09 8.04 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.712 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.41 -78.82 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.764 0.316 . . . . 0.0 110.945 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.48 13.52 77.49 Favored Glycine 0 CA--C 1.554 2.488 0 CA-C-N 116.316 -0.402 . . . . 0.0 113.43 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -70.58 143.87 51.41 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.448 0.624 . . . . 0.0 110.638 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.0 54.58 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -126.26 156.51 40.22 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.259 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -63.83 -41.23 97.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.305 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -134.68 148.52 50.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.735 -171.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -64.56 -28.9 69.95 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.642 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -65.24 -33.85 76.97 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 122.342 -0.224 . . . . 0.0 110.835 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.05 -35.55 66.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.0 tp -61.68 -47.1 86.88 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 120.682 0.277 . . . . 0.0 110.484 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -56.9 -41.93 79.01 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.738 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.6 t -59.14 -41.22 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 120.738 0.304 . . . . 0.0 111.054 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -68.3 -45.05 74.06 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.574 0.225 . . . . 0.0 111.246 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.86 -31.74 73.11 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.332 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.89 53.48 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.811 175.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -67.92 -47.14 69.57 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 122.441 -0.162 . . . . 0.0 111.242 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -63.98 -36.33 83.63 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.6 p -81.85 -18.31 44.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.043 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.79 32.32 17.32 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.338 0.655 . . . . 0.0 111.891 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.3 155.82 45.68 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 169.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -95.71 132.42 27.36 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 120.686 0.279 . . . . 0.0 111.079 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.97 -37.06 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 113.222 -171.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.536 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 85.4 m-85 -98.94 92.71 5.65 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.514 -170.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -98.8 142.99 29.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.9 t -73.81 121.06 84.25 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.379 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.96 4.86 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.889 2.393 . . . . 0.0 113.167 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.1 151.3 47.18 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.162 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.26 128.65 36.7 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.0 90.33 Favored Glycine 0 CA--C 1.548 2.103 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.713 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -115.12 153.05 31.48 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 120.82 0.343 . . . . 0.0 110.713 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.28 19.36 0.75 Allowed 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.52 143.24 57.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.726 0.298 . . . . 0.0 110.269 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -134.17 150.76 51.11 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.07 157.57 45.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.087 -169.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -84.58 -18.11 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.539 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 20.4 mt -140.98 154.41 68.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.536 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.0 Cg_endo -66.73 -29.73 42.43 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.608 2.205 . . . . 0.0 112.287 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.3 p -66.89 -37.74 84.96 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -70.6 -38.2 73.96 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.883 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.23 -43.77 93.93 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.681 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -39.98 78.37 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.879 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -42.03 90.38 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.809 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.41 -37.06 82.1 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.522 0.201 . . . . 0.0 111.346 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 -31.25 68.08 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.608 0.242 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.61 -25.82 64.96 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.145 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.8 -43.32 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.587 0.232 . . . . 0.0 110.652 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -77.01 -30.55 55.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.288 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.04 64.94 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 120.654 0.264 . . . . 0.0 110.812 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.11 173.33 48.63 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.55 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.18 94.85 44.68 Favored Pre-proline 0 C--O 1.236 0.391 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.48 141.59 15.9 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.338 2.025 . . . . 0.0 112.34 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.89 140.67 53.18 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -142.48 12.38 1.93 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.417 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.71 -23.31 65.27 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -148.19 144.28 27.62 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.834 0.349 . . . . 0.0 110.684 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.28 -27.87 68.94 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.479 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -96.25 17.29 16.13 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.291 -177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 159.11 15.1 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.7 p -151.67 4.81 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -64.86 141.14 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.699 0.285 . . . . 0.0 111.062 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.7 t -128.25 122.66 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.266 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.91 133.24 11.65 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.027 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -66.99 -15.57 63.81 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 122.779 -0.248 . . . . 0.0 111.182 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.4 160.9 43.04 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.405 175.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -58.0 -39.26 77.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.8 p -57.09 -47.39 81.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.159 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.0 -34.9 77.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.373 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -69.29 -48.12 62.55 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.542 0.211 . . . . 0.0 110.594 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 47.1 mt -59.93 -41.63 92.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.45 -42.4 95.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -61.95 -42.11 98.74 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.703 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.0 t -61.72 -44.9 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.078 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 120.675 0.274 . . . . 0.0 111.154 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.28 -28.27 20.0 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.99 -19.94 12.16 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -169.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.337 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -109.13 122.17 46.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.84 139.08 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.833 -169.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.86 129.74 34.9 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.452 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -111.58 24.24 12.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.26 154.44 23.62 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.133 170.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.88 114.75 2.03 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 -172.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 69.85 15.13 7.96 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.676 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.3 -78.56 0.23 Allowed 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.667 0.27 . . . . 0.0 110.999 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.38 13.84 77.16 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.389 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -69.48 144.05 53.34 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.538 0.669 . . . . 0.0 110.669 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 138.37 54.37 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 -174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -126.28 158.49 35.62 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.198 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.54 ' HG3' ' HZ2' ' A' ' 118' ' ' LYS . 1.3 ptmt -76.82 -30.53 56.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.914 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.54 ' HZ2' ' HG3' ' A' ' 117' ' ' LYS . 27.0 mmtm -129.24 148.09 51.14 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -65.26 -28.73 69.55 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.507 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -64.18 -32.11 73.57 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 122.286 -0.259 . . . . 0.0 110.963 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.23 -37.1 69.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.67 0.271 . . . . 0.0 110.676 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -62.02 -47.2 85.82 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.64 -40.16 86.74 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.622 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.7 t -61.29 -41.19 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -67.62 -44.35 78.21 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.075 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.78 -31.69 73.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.306 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.77 54.28 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 116.845 -0.161 . . . . 0.0 110.857 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.74 -46.84 67.83 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 122.389 -0.194 . . . . 0.0 111.182 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.81 -36.26 83.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.729 0.299 . . . . 0.0 110.999 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 80.0 p -82.29 -18.75 41.22 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.01 33.0 19.3 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.244 0.618 . . . . 0.0 111.899 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -131.08 155.8 46.3 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.5 132.28 29.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.096 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -78.42 -36.46 0.93 Allowed 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.565 2.177 . . . . 0.0 113.233 -171.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.5 m-85 -100.23 92.75 5.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.936 0.398 . . . . 0.0 110.43 -169.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -95.15 143.01 26.92 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.548 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.83 121.04 84.22 Favored Pre-proline 0 CA--C 1.564 1.481 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.348 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -89.88 4.5 4.85 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 122.906 2.404 . . . . 0.0 113.251 -171.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.43 144.1 57.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.41 111.29 3.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.58 -3.94 42.97 Favored Glycine 0 CA--C 1.544 1.878 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.602 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.46 155.51 19.5 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.851 0.358 . . . . 0.0 110.627 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -146.06 13.24 1.28 Allowed 'General case' 0 CA--C 1.557 1.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.2 145.59 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -134.29 152.26 51.72 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.335 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.02 156.12 48.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.225 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.8 p -87.34 -15.68 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.576 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -141.87 154.59 65.66 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.875 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.1 Cg_endo -66.29 -32.84 40.84 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.531 2.154 . . . . 0.0 112.384 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.1 p -62.57 -37.63 86.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.732 0.301 . . . . 0.0 111.043 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.35 -39.26 71.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.887 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.04 -45.88 86.89 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.757 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.69 -36.51 74.33 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.111 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -73.11 -35.42 66.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.855 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -66.03 -35.2 79.91 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.585 0.231 . . . . 0.0 111.172 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.61 -31.19 67.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.55 0.214 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -59.61 -25.7 64.85 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.177 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.5 t -61.77 -43.22 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 120.663 0.268 . . . . 0.0 110.522 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.18 -28.25 57.24 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.227 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.28 63.13 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-O 120.636 0.255 . . . . 0.0 110.853 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.07 171.46 44.47 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.398 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -124.16 94.8 44.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.47 145.55 14.89 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.481 2.12 . . . . 0.0 112.596 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.6 t -74.67 141.02 44.6 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.17 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -142.23 13.51 2.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.319 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.18 -23.13 65.73 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.031 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -150.61 145.89 26.18 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.33 -27.92 68.94 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.446 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.1 p -93.58 16.35 13.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.386 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -113.83 136.74 52.53 Favored 'General case' 0 CA--C 1.55 0.942 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.248 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -136.08 17.02 3.23 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.425 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.41 140.35 58.56 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.655 0.264 . . . . 0.0 110.864 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 123.34 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.7 137.93 15.25 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.201 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -22.48 66.36 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 122.888 -0.184 . . . . 0.0 111.057 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.78 162.14 39.82 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -57.72 -40.09 78.79 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.379 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 p -56.97 -48.02 79.38 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.469 0.176 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.9 -35.63 78.92 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.183 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -68.24 -48.12 65.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.626 0.251 . . . . 0.0 110.655 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -39.58 89.17 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.03 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -63.95 -43.59 95.38 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.835 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -61.95 -42.88 99.61 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.704 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.75 -45.07 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.997 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.64 74.07 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.988 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -89.25 -27.12 20.81 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.95 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 96.1 m -114.9 -19.78 10.83 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.16 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 120.877 0.37 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -109.11 119.57 39.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.1 t -111.31 139.19 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.833 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.23 128.4 33.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.439 171.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -110.53 24.29 13.16 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.994 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.43 153.77 26.15 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.5 114.78 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.784 0.326 . . . . 0.0 111.247 -172.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.78 15.14 8.02 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.748 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -84.95 -78.39 0.25 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 120.755 0.312 . . . . 0.0 111.027 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.83 15.2 73.63 Favored Glycine 0 CA--C 1.551 2.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.432 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -69.6 142.71 53.48 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 117.462 0.631 . . . . 0.0 110.472 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.92 54.83 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 -173.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -126.26 157.04 39.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.992 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -72.31 -32.07 66.25 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -137.78 154.02 49.62 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.074 0.464 . . . . 0.0 111.773 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -67.55 -28.69 68.01 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.703 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.97 -36.08 82.78 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 122.318 -0.239 . . . . 0.0 110.716 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.8 -37.74 70.36 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.686 0.279 . . . . 0.0 110.549 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.66 -47.27 86.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.75 0.31 . . . . 0.0 110.704 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -62.52 -38.47 90.1 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.87 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.91 -41.21 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -68.46 -44.93 73.78 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.159 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.12 -31.69 72.98 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.395 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.93 53.46 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.757 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.3 t -67.69 -46.93 70.87 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 122.431 -0.168 . . . . 0.0 111.265 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.26 -36.26 83.51 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.835 0.35 . . . . 0.0 111.058 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -81.83 -17.84 46.06 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.01 32.73 16.05 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.283 0.633 . . . . 0.0 111.838 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -131.19 155.47 46.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.223 169.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.87 133.72 26.05 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.072 -169.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -79.93 -38.15 0.38 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.561 2.174 . . . . 0.0 113.256 -171.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.0 m-85 -95.24 92.24 6.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.509 -170.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.44 141.78 28.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 33.8 t -73.92 120.48 81.47 Favored Pre-proline 0 CA--C 1.565 1.543 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.454 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.17 5.72 4.81 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.836 2.357 . . . . 0.0 113.349 -171.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.27 142.38 58.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.41 103.4 1.63 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 113.31 -1.33 25.21 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -110.34 158.23 18.66 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.827 0.346 . . . . 0.0 110.614 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.05 11.71 0.94 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.668 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -66.52 148.76 51.43 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 120.817 0.341 . . . . 0.0 110.687 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -135.28 154.0 51.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -134.12 160.18 38.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.951 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.0 p -83.27 -26.95 30.22 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.511 -175.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -136.52 155.62 76.85 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 122.381 0.272 . . . . 0.0 110.423 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.1 Cg_endo -64.64 -25.01 62.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.637 2.225 . . . . 0.0 112.563 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.1 p -65.02 -43.71 91.58 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -70.1 -36.12 74.64 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.99 -43.98 94.05 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.509 0.195 . . . . 0.0 110.775 173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -64.58 -35.45 81.01 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.803 -0.181 . . . . 0.0 111.111 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.83 -40.37 91.73 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.562 0.22 . . . . 0.0 110.594 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.84 -39.08 90.45 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.077 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.81 -31.41 68.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.549 0.214 . . . . 0.0 110.982 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.72 -25.91 65.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.03 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.76 -43.5 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 120.721 0.296 . . . . 0.0 110.53 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -77.12 -28.58 54.39 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.22 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.66 63.26 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.665 0.269 . . . . 0.0 110.841 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.23 168.87 44.66 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.385 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -124.06 94.79 44.98 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.59 145.83 16.63 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.546 2.164 . . . . 0.0 112.522 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -74.06 138.64 44.13 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.017 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -137.35 12.71 3.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.418 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -68.35 -21.88 64.71 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.106 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.68 141.67 23.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.835 0.35 . . . . 0.0 110.679 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.33 -22.59 66.28 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.618 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 72.4 m -100.34 19.42 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.207 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.33 163.08 13.23 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 171.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.53 5.75 0.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.68 138.01 57.11 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.757 0.313 . . . . 0.0 111.104 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.38 122.04 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.236 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.58 139.01 16.91 Favored Glycine 0 N--CA 1.473 1.155 0 C-N-CA 121.367 -0.444 . . . . 0.0 112.103 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -69.62 -18.33 63.59 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 120.578 0.227 . . . . 0.0 111.068 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.83 160.2 43.01 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -57.97 -38.9 76.89 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.365 -174.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.2 p -57.62 -46.37 84.2 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.14 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.17 -35.3 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.28 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -69.43 -48.28 61.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 110.589 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.4 mt -60.2 -40.76 91.19 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.764 0.316 . . . . 0.0 110.814 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -64.74 -41.68 95.75 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.91 -42.61 99.29 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.824 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.64 -45.03 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.02 73.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.704 0.288 . . . . 0.0 111.153 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.24 -43.99 10.59 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.652 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 93.3 m -92.54 -20.52 20.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -169.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -178.438 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 120.823 0.344 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.13 124.16 50.36 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.444 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.0 t -110.49 139.09 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.726 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.7 t -79.5 128.52 33.47 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.454 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -110.89 24.94 12.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.874 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.3 154.35 24.02 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -55.44 114.63 1.9 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.881 0.372 . . . . 0.0 111.186 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.83 14.95 7.99 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.612 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.25 -79.82 0.22 Allowed 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 120.746 0.307 . . . . 0.0 110.968 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.32 15.65 77.06 Favored Glycine 0 CA--C 1.555 2.541 0 CA-C-N 116.327 -0.397 . . . . 0.0 113.423 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -70.96 143.29 50.91 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 117.356 0.578 . . . . 0.0 110.633 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.12 138.04 54.38 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -126.09 160.03 31.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -64.27 -42.08 96.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.153 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -143.09 155.86 44.69 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.867 -170.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -64.44 -28.86 69.96 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.755 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.58 -32.38 73.69 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 122.437 -0.164 . . . . 0.0 110.86 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -73.1 -37.7 66.63 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.693 0.282 . . . . 0.0 110.744 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.744 0.307 . . . . 0.0 110.435 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.61 -39.2 87.32 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.896 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 t -58.96 -41.26 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -69.9 -45.08 68.38 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.15 -31.82 73.2 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.351 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.78 53.28 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.992 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.55 -46.49 69.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.186 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.25 -36.28 83.58 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.971 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.3 p -82.77 -19.3 38.08 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.5 31.13 18.37 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.264 0.626 . . . . 0.0 112.022 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.89 156.52 44.26 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.389 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.37 131.73 29.17 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 120.73 0.3 . . . . 0.0 111.028 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -78.97 -37.5 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.473 2.115 . . . . 0.0 113.211 -170.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.93 95.04 7.56 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.618 -170.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.88 143.07 28.87 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.857 0.361 . . . . 0.0 110.828 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.66 121.57 85.55 Favored Pre-proline 0 CA--C 1.565 1.526 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.557 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -91.9 4.64 3.8 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 122.882 2.388 . . . . 0.0 113.313 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -69.99 150.38 46.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.127 0.489 . . . . 0.0 110.966 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.65 129.91 42.08 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.977 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.03 4.87 89.74 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.764 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -119.11 154.44 33.23 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.9 18.36 0.68 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.03 145.98 54.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.391 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -134.0 149.19 51.2 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 57.5 m-85 -134.04 161.4 34.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.177 -169.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 p -82.95 -29.55 28.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.622 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.25 155.23 80.29 Favored Pre-proline 0 N--CA 1.479 1.018 0 CA-C-O 120.649 0.261 . . . . 0.0 110.798 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 19.8 Cg_endo -65.93 -34.8 37.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.466 2.111 . . . . 0.0 112.146 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -33.12 74.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.081 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.15 -36.69 66.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.033 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.66 -45.38 83.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.618 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -54.83 -40.87 70.03 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.56 -40.63 84.91 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.893 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 75.4 t60 -61.07 -34.04 74.28 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.523 0.201 . . . . 0.0 111.343 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.45 -30.06 66.64 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 122.291 -0.256 . . . . 0.0 110.76 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -59.43 -25.65 64.52 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.109 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.7 t -61.73 -40.83 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 120.61 0.243 . . . . 0.0 110.602 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -77.06 -32.21 56.67 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.19 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.03 63.52 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 120.635 0.255 . . . . 0.0 111.079 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.32 173.21 46.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 116.475 -0.329 . . . . 0.0 112.564 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -124.11 94.74 44.97 Favored Pre-proline 0 C--O 1.236 0.362 0 C-N-CA 122.526 0.33 . . . . 0.0 110.134 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.35 140.95 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.207 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.23 142.28 52.39 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.084 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -143.5 12.11 1.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.586 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -68.1 -22.39 64.91 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -146.98 142.26 27.33 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.811 0.339 . . . . 0.0 110.473 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -65.15 -24.25 67.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.594 -174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.9 m -102.78 19.35 19.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.167 0.187 . . . . 0.0 111.273 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.0 158.96 15.38 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 171.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -149.44 2.65 0.55 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.65 139.92 58.81 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.768 0.318 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 121.36 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.52 134.61 12.83 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.1 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -66.93 -17.55 64.96 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 122.829 -0.218 . . . . 0.0 111.135 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.39 163.29 38.73 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.845 0.355 . . . . 0.0 110.596 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -58.34 -41.06 83.78 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.408 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.3 p -57.39 -46.85 83.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.389 0.138 . . . . 0.0 111.028 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.06 -34.56 76.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.311 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.94 -48.07 59.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.54 0.209 . . . . 0.0 110.644 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.78 -41.48 91.23 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.85 0.357 . . . . 0.0 111.052 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.92 -43.33 96.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -62.03 -42.53 99.27 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.776 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.8 t -62.09 -45.03 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.135 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.35 72.51 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.36 -28.47 19.78 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.044 -175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.9 m -113.89 -19.16 11.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.46 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.819 0.342 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -109.13 122.29 46.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.465 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -109.93 139.14 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.73 -169.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.45 129.06 34.47 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.463 171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -111.32 24.57 12.68 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.24 154.53 23.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.165 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.77 114.76 2.02 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 -172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.6 t30 69.77 15.11 8.04 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.04 -78.41 0.25 Allowed 'General case' 0 CA--C 1.564 1.491 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.9 13.78 75.68 Favored Glycine 0 CA--C 1.554 2.474 0 CA-C-N 116.323 -0.398 . . . . 0.0 113.435 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.7 143.33 53.15 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 117.49 0.645 . . . . 0.0 110.626 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.79 137.51 54.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.932 0.396 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -126.15 156.77 39.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.198 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.18 -45.33 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.989 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -137.44 153.93 50.03 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.007 -170.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.2 -28.66 69.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.596 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -64.01 -35.82 81.98 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 122.378 -0.201 . . . . 0.0 110.963 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -72.63 -36.09 67.95 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.651 0.263 . . . . 0.0 110.73 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.18 -47.03 88.04 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 120.614 0.245 . . . . 0.0 110.554 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.21 -43.45 82.8 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.677 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.3 -41.07 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 0.0 110.968 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.42 -45.03 70.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.221 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.63 -31.74 72.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.85 54.55 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.449 0.166 . . . . 0.0 110.882 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -68.33 -46.61 69.73 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 122.379 -0.201 . . . . 0.0 111.21 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.22 -36.4 83.95 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.089 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -82.55 -19.28 38.91 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.24 31.5 18.55 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.292 0.637 . . . . 0.0 111.941 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.53 156.27 44.44 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.66 132.05 28.18 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.148 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -78.99 -37.29 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.515 2.143 . . . . 0.0 113.211 -171.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -97.74 94.22 6.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -98.97 141.58 31.55 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.99 119.88 78.45 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.504 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -92.01 5.63 3.56 Favored 'Trans proline' 0 CA--C 1.552 1.377 0 C-N-CA 122.82 2.346 . . . . 0.0 113.268 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -71.73 148.88 45.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.985 0.421 . . . . 0.0 111.0 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.31 128.34 35.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.88 2.13 81.65 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.724 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.0 t -120.69 152.9 37.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 120.99 0.424 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -148.93 17.05 0.97 Allowed 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 149.72 49.98 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.641 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -135.04 150.39 50.29 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.11 163.6 29.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.055 -169.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 p -88.23 -20.9 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.696 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.63 153.97 72.81 Favored Pre-proline 0 N--CA 1.473 0.692 0 CA-C-O 120.699 0.285 . . . . 0.0 111.014 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.6 Cg_endo -67.54 -33.59 28.35 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.521 2.148 . . . . 0.0 112.264 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.7 p -63.4 -37.95 89.26 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.987 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -42.57 74.83 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.16 -46.74 85.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.647 0.261 . . . . 0.0 110.823 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -59.13 -35.84 74.16 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.25 -32.86 64.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.983 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.32 -38.1 89.14 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.643 0.259 . . . . 0.0 111.05 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.77 -31.28 68.23 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.64 0.257 . . . . 0.0 110.931 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -59.76 -25.81 65.18 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.67 -42.88 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.834 0.349 . . . . 0.0 110.43 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -74.99 -28.8 60.69 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.35 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.91 62.62 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.643 0.259 . . . . 0.0 110.814 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 170.65 46.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.382 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.07 94.72 45.06 Favored Pre-proline 0 C--O 1.237 0.434 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.18 146.32 14.12 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.506 2.137 . . . . 0.0 112.63 -171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -75.33 140.82 43.32 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.149 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -142.61 13.52 1.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.381 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.65 -23.7 66.19 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.12 142.55 26.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.508 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.15 -21.09 64.03 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.639 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.3 m -98.19 18.2 16.81 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 120.498 0.19 . . . . 0.0 111.168 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.33 160.56 14.19 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.9 t -153.29 8.34 0.4 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -65.38 138.64 58.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.31 124.08 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.27 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.41 139.84 15.78 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.116 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.0 -19.77 64.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.518 0.199 . . . . 0.0 111.036 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.0 161.31 41.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.454 176.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -57.95 -39.0 77.01 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.39 -47.02 82.78 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.457 0.17 . . . . 0.0 111.07 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.93 -35.55 78.74 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.168 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -68.89 -48.21 63.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.62 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.62 -39.58 84.71 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -63.98 -43.99 94.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -61.88 -42.61 99.26 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 120.679 0.276 . . . . 0.0 110.774 176.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.87 -45.02 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.1 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.51 73.6 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.658 0.266 . . . . 0.0 111.114 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -89.25 -31.0 18.09 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.9 m -110.31 -20.15 12.73 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -169.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.383 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 120.887 0.375 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.25 123.33 49.08 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.226 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.36 139.06 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.797 -169.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.98 128.05 33.3 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.479 171.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -109.95 23.73 13.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.915 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.68 154.24 25.87 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 170.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.02 114.71 2.05 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 -172.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.13 8.04 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.643 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.56 -78.48 0.24 Allowed 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 120.687 0.279 . . . . 0.0 111.095 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.52 14.17 77.53 Favored Glycine 0 CA--C 1.554 2.491 0 CA-C-N 116.354 -0.384 . . . . 0.0 113.452 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.78 143.33 53.01 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 117.481 0.641 . . . . 0.0 110.626 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.06 137.81 54.53 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.896 0.379 . . . . 0.0 111.131 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.34 155.58 41.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.172 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.439 ' HE2' ' HZ3' ' A' ' 118' ' ' LYS . 72.2 tttt -65.14 -40.95 95.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.021 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' HZ3' ' HE2' ' A' ' 117' ' ' LYS . 13.0 mmtp -132.49 145.47 51.19 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.804 0.335 . . . . 0.0 110.561 -173.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -63.62 -28.71 70.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.647 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -63.98 -31.58 72.82 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 122.209 -0.307 . . . . 0.0 111.053 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.15 -38.15 66.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.655 0.264 . . . . 0.0 110.677 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.95 -46.99 87.61 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.869 0.366 . . . . 0.0 110.466 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -57.05 -43.68 82.23 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 t -59.22 -41.23 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.69 -45.0 72.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.247 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.75 -31.83 73.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.451 0.167 . . . . 0.0 111.347 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -28.8 53.04 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.799 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.75 -46.99 70.54 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 122.46 -0.15 . . . . 0.0 111.218 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.47 -36.34 83.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.744 0.307 . . . . 0.0 111.024 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 68.5 p -82.06 -18.79 41.91 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.64 31.47 17.37 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.317 0.647 . . . . 0.0 111.858 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.52 155.3 45.98 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.45 133.36 27.14 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 120.634 0.255 . . . . 0.0 111.265 -169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.98 -36.71 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.53 2.153 . . . . 0.0 113.207 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.57 94.09 5.94 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.518 -170.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -102.99 141.96 34.9 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.7 t -74.7 120.98 84.18 Favored Pre-proline 0 CA--C 1.565 1.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.472 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -92.36 5.41 3.45 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 C-N-CA 122.9 2.4 . . . . 0.0 113.163 -173.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -65.94 148.92 51.03 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.36 121.72 15.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.93 1.72 76.08 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.57 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.7 t -116.53 155.36 28.79 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.544 0.338 . . . . 0.0 110.646 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -153.54 14.94 0.5 Allowed 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.684 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -65.85 146.63 54.51 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.722 0.296 . . . . 0.0 110.497 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -133.4 150.85 51.79 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.572 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -134.16 160.37 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.08 -169.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.1 m -84.33 -28.31 27.16 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.571 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -132.52 154.7 81.63 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-O 120.606 0.241 . . . . 0.0 110.546 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.6 Cg_endo -66.91 -30.48 39.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.559 2.172 . . . . 0.0 112.424 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.0 p -61.15 -37.59 83.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -72.96 -40.85 64.99 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.66 -44.18 91.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.652 0.263 . . . . 0.0 110.635 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -54.99 -45.86 75.08 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.712 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.07 -30.45 69.65 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.154 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -69.11 -41.18 77.76 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.446 0.165 . . . . 0.0 110.963 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.84 -31.61 68.66 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.559 0.219 . . . . 0.0 110.881 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -59.82 -25.94 65.38 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.75 -42.39 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 120.721 0.296 . . . . 0.0 110.335 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.27 -30.05 60.32 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.332 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.86 -26.22 63.16 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 120.703 0.287 . . . . 0.0 110.812 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.97 169.95 43.85 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.534 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.07 94.8 44.95 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.49 145.99 13.48 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.502 2.135 . . . . 0.0 112.555 -171.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.5 t -74.28 142.0 45.28 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.025 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.12 13.12 1.83 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.315 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -66.03 -23.4 66.55 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -148.28 144.27 27.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.795 0.331 . . . . 0.0 110.571 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -65.08 -26.95 68.45 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.432 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 54.3 m -95.65 17.01 15.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.263 0.225 . . . . 0.0 111.302 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.78 160.09 14.53 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.99 6.55 0.38 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.29 138.26 58.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.752 0.311 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.3 t -128.35 123.78 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.288 170.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.96 139.52 15.81 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.138 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.19 -19.43 63.98 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.579 0.228 . . . . 0.0 111.092 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.97 160.82 41.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.843 0.354 . . . . 0.0 110.48 176.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -57.88 -38.85 76.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.283 -175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.16 -47.57 80.86 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.437 0.161 . . . . 0.0 111.122 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.01 -35.31 78.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.144 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -68.54 -48.02 65.38 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.559 0.219 . . . . 0.0 110.618 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.04 -39.93 91.67 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -63.9 -43.65 95.33 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.817 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.87 -41.98 98.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.74 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.9 t -63.22 -45.07 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.087 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.21 75.31 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.981 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.28 -27.71 20.38 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.35 -20.97 11.63 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -169.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -109.12 118.82 37.74 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.182 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.4 t -111.17 139.05 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.829 -168.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.7 128.1 33.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.544 170.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -110.07 24.22 13.31 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.78 153.63 28.03 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.69 114.72 1.99 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 120.78 0.324 . . . . 0.0 111.185 -172.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.8 t30 69.75 15.26 8.04 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.711 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.1 -78.42 0.25 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 120.746 0.308 . . . . 0.0 110.948 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.34 15.55 74.98 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 113.415 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -69.74 142.76 53.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.556 0.678 . . . . 0.0 110.498 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.98 138.06 54.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.899 0.38 . . . . 0.0 111.201 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.19 155.35 41.9 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.03 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -71.3 -35.3 71.22 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -130.85 150.57 51.96 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 120.925 0.393 . . . . 0.0 111.272 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -67.98 -28.77 67.73 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.767 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -64.83 -31.71 73.07 Favored 'General case' 0 CA--C 1.558 1.285 0 O-C-N 122.183 -0.323 . . . . 0.0 110.964 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -73.02 -37.23 67.0 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.715 0.293 . . . . 0.0 110.685 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.04 -47.11 87.2 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 120.701 0.286 . . . . 0.0 110.449 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -57.26 -44.1 83.62 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.4 t -58.11 -41.18 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.99 -45.04 71.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.244 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.6 -31.81 73.05 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.84 -0.164 . . . . 0.0 111.389 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.82 52.93 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.828 175.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.0 t -67.6 -46.99 71.0 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 122.423 -0.173 . . . . 0.0 111.173 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.46 -36.34 83.87 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.029 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -81.69 -18.21 45.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.74 16.71 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.96 -175.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -131.03 156.0 45.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.229 169.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.63 131.54 29.23 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.009 -169.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -79.19 -38.1 0.46 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.502 2.134 . . . . 0.0 113.282 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.3 m-85 -95.74 94.49 7.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.474 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.21 142.97 30.01 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.865 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.16 120.71 82.72 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.51 4.63 5.01 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 C-N-CA 122.804 2.336 . . . . 0.0 113.195 -172.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.93 144.08 57.36 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.922 0.391 . . . . 0.0 111.049 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.42 109.38 3.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 106.78 -2.77 36.08 Favored Glycine 0 CA--C 1.545 1.927 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -108.01 155.74 20.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -145.13 12.15 1.38 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.27 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -65.33 144.02 57.38 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.665 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -133.33 150.36 51.86 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.395 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -134.05 158.24 44.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.923 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.7 p -83.04 -26.76 30.86 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.465 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.2 154.85 81.78 Favored Pre-proline 0 N--CA 1.476 0.841 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.3 Cg_endo -66.4 -31.76 42.07 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.8 m -64.48 -38.48 91.15 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.32 -41.77 84.76 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.74 -46.58 81.61 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.61 -37.07 82.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.042 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -69.8 -39.69 76.43 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.728 -0.214 . . . . 0.0 110.806 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -59.03 -33.8 71.17 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.723 0.297 . . . . 0.0 110.985 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.4 -31.27 67.53 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 120.697 0.284 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -59.55 -25.73 64.78 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.271 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.74 -42.0 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-O 120.605 0.241 . . . . 0.0 110.651 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.05 -30.29 55.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.267 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.01 64.9 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.63 174.58 48.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.587 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.17 94.87 44.65 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.78 142.25 15.81 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 122.407 2.071 . . . . 0.0 112.361 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.48 141.37 50.21 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -141.98 12.01 2.02 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.628 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.08 -23.56 65.86 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.105 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -151.23 145.32 25.3 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.844 0.354 . . . . 0.0 110.739 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.77 -28.26 68.9 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.491 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -94.86 18.97 10.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.252 0.221 . . . . 0.0 111.127 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 t -114.47 135.08 54.5 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.18 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 30.4 m -136.09 16.49 3.25 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 142.11 58.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.645 0.259 . . . . 0.0 110.837 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.4 t -128.22 122.64 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 120.849 0.356 . . . . 0.0 110.369 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.53 132.65 11.22 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.12 -15.54 63.78 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 122.824 -0.221 . . . . 0.0 111.148 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.92 162.17 41.32 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 120.78 0.324 . . . . 0.0 110.359 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -57.72 -40.5 79.72 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.333 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.1 p -57.02 -47.63 80.41 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.18 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.87 -35.47 78.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.846 -0.161 . . . . 0.0 111.297 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -69.38 -48.08 62.25 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.652 0.263 . . . . 0.0 110.665 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.99 -41.9 93.06 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.063 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -65.07 -41.55 94.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.977 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.84 -43.14 99.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.691 0.282 . . . . 0.0 110.706 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 t -62.23 -45.0 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.112 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.55 73.95 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.732 0.301 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -89.3 -30.09 18.7 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.931 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.39 -20.97 12.73 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -169.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.486 1.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.684 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -109.1 123.4 49.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.322 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.18 139.16 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -169.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.42 128.7 33.99 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.428 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.61 24.35 13.07 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.881 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.12 25.02 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.84 114.72 2.01 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 120.84 0.352 . . . . 0.0 111.246 -172.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.5 t30 69.76 15.07 8.06 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.89 -79.18 0.23 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.69 15.15 77.81 Favored Glycine 0 CA--C 1.556 2.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 113.421 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -70.57 143.31 51.61 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.495 0.648 . . . . 0.0 110.669 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.69 137.41 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.873 0.368 . . . . 0.0 111.121 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.23 156.24 40.58 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.224 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -65.39 -40.45 93.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.247 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -133.92 147.26 51.07 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.769 0.319 . . . . 0.0 110.725 -172.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -63.06 -28.81 70.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.626 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -64.5 -31.91 73.32 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 122.445 -0.159 . . . . 0.0 111.02 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -73.09 -37.53 66.71 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.731 0.3 . . . . 0.0 110.82 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.47 -47.1 87.19 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.814 0.34 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -58.12 -41.11 82.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.97 -41.23 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.16 -45.03 71.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.255 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.5 -31.82 73.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.431 0.158 . . . . 0.0 111.252 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.88 55.05 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.959 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 -46.62 69.24 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.407 -0.183 . . . . 0.0 111.232 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -64.07 -36.4 83.89 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.988 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.4 -18.68 41.08 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 31.68 17.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.383 0.673 . . . . 0.0 111.902 -175.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.56 156.42 44.86 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.384 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.48 131.38 31.13 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.924 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.51 -36.94 0.78 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.568 2.179 . . . . 0.0 113.345 -170.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.55 96.69 7.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.535 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.93 143.03 30.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.814 0.34 . . . . 0.0 110.932 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.7 t -76.06 120.8 83.26 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.469 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.24 4.74 4.6 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.827 2.351 . . . . 0.0 113.2 -173.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -65.84 149.25 50.47 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.137 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.91 121.69 15.22 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.45 0.2 79.85 Favored Glycine 0 CA--C 1.546 2.019 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.723 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.21 152.5 24.0 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.776 0.322 . . . . 0.0 110.685 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -145.92 11.7 1.24 Allowed 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.27 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 146.84 53.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.902 0.382 . . . . 0.0 110.749 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -132.88 152.96 51.78 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -133.75 157.53 45.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.07 -169.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 p -80.9 -28.02 36.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.43 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -128.98 154.87 80.39 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-O 120.731 0.301 . . . . 0.0 110.849 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.8 Cg_endo -66.76 -34.93 29.64 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.363 2.042 . . . . 0.0 112.082 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.5 p -64.01 -34.71 78.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -72.92 -38.14 66.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.0 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.94 -46.42 78.25 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 172.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.01 -40.11 79.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -72.35 -36.91 68.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.989 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -59.01 -33.72 71.05 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.796 0.331 . . . . 0.0 110.926 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.38 -30.55 66.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.749 0.309 . . . . 0.0 110.694 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.53 -25.71 64.73 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.345 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.83 -42.32 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-O 120.669 0.271 . . . . 0.0 110.538 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -76.27 -29.31 57.38 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.19 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.01 64.91 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.623 0.249 . . . . 0.0 110.895 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.68 173.98 48.15 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.408 -0.36 . . . . 0.0 112.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -124.09 94.67 45.1 Favored Pre-proline 0 C--O 1.237 0.43 0 C-N-CA 122.53 0.332 . . . . 0.0 110.109 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.48 139.7 13.01 Favored 'Trans proline' 0 N--CA 1.441 -1.592 0 C-N-CA 122.239 1.959 . . . . 0.0 112.19 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.86 141.3 53.23 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.035 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -139.84 11.66 2.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.433 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -68.1 -21.92 64.93 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.081 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -149.19 141.45 24.08 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.408 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -68.36 -21.4 64.73 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.555 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 67.2 m -99.45 17.17 20.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.149 0.18 . . . . 0.0 111.31 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -92.78 159.55 15.35 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.1 p -149.36 2.54 0.56 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -65.37 138.49 58.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.728 0.299 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.5 t -128.24 120.63 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.233 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.16 136.89 14.88 Favored Glycine 0 N--CA 1.476 1.335 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.147 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -65.96 -19.09 65.75 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.722 -0.281 . . . . 0.0 111.068 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.08 162.09 41.09 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.906 0.384 . . . . 0.0 110.668 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -57.74 -40.94 80.85 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.374 -175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.6 p -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.168 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.7 -33.37 75.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.346 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -71.01 -48.09 55.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.658 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.15 -41.4 92.67 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.03 -43.39 95.74 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.973 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -61.85 -40.23 94.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.28 -45.11 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.95 71.59 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.757 -0.202 . . . . 0.0 111.268 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.26 -43.03 11.26 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 5.9 t -94.11 -20.45 19.88 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -169.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 CA--C 1.55 0.95 0 CA-C-O 121.087 0.47 . . . . 0.0 110.72 178.664 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 120.773 0.321 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.16 123.1 48.66 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.31 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.1 t -111.09 139.15 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.602 -169.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.17 128.93 34.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.467 171.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -111.11 24.89 12.35 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -61.62 155.12 23.21 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.09 170.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.05 114.68 2.04 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.851 0.358 . . . . 0.0 111.166 -172.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.4 t30 69.76 15.0 8.06 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.2 t -85.59 -79.02 0.25 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 120.698 0.285 . . . . 0.0 110.983 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.68 15.13 75.54 Favored Glycine 0 CA--C 1.553 2.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.39 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -69.74 142.65 53.23 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 117.509 0.654 . . . . 0.0 110.573 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.53 136.95 54.92 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.986 0.422 . . . . 0.0 111.19 -173.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -126.05 156.75 39.47 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.009 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -137.98 153.75 49.41 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.757 0.313 . . . . 0.0 111.272 -169.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -63.65 -28.8 70.16 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -63.89 -36.93 85.56 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 122.415 -0.178 . . . . 0.0 110.948 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.05 -35.63 66.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.676 0.275 . . . . 0.0 110.723 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.7 tp -62.18 -47.19 85.59 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 120.743 0.306 . . . . 0.0 110.66 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -61.95 -38.35 88.16 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.784 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 t -60.02 -41.13 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.941 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -68.51 -44.89 73.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.188 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.45 -31.72 72.96 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.394 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.84 54.33 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 120.415 0.15 . . . . 0.0 110.81 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.1 t -67.91 -46.67 70.92 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.265 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.41 -36.4 84.02 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.023 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.8 p -82.15 -18.48 42.67 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.95 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.51 30.81 15.85 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.4 0.68 . . . . 0.0 111.97 -176.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.88 156.34 43.82 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.31 . . . . 0.0 110.333 169.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.4 mt -96.4 131.35 28.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -79.04 -36.93 0.62 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.604 2.203 . . . . 0.0 113.276 -171.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.539 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.1 m-85 -96.79 92.54 6.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.98 0.419 . . . . 0.0 110.668 -169.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.19 140.19 30.45 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.96 119.85 78.3 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.443 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.55 5.29 4.78 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 C-N-CA 122.854 2.369 . . . . 0.0 113.221 -173.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.17 147.04 54.18 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.8 118.79 10.16 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 93.89 1.48 65.41 Favored Glycine 0 CA--C 1.544 1.905 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.691 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.3 t -110.99 154.04 24.71 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.86 0.362 . . . . 0.0 110.699 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.55 13.4 1.36 Allowed 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.25 145.27 56.45 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.713 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -133.49 151.75 51.81 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -134.05 160.49 37.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.302 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.9 p -84.99 -22.28 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.497 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.8 mt -138.49 153.59 72.75 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 120.703 0.287 . . . . 0.0 110.883 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.539 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 31.6 Cg_endo -67.14 -30.58 37.98 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.521 2.147 . . . . 0.0 112.206 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.3 p -64.02 -39.01 93.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -37.48 66.96 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.05 -44.48 92.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 120.774 0.321 . . . . 0.0 110.705 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.09 -38.61 91.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.939 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.9 mtm-85 -69.84 -33.74 72.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.772 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.24 -36.38 83.89 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 120.579 0.228 . . . . 0.0 110.777 172.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.74 -31.58 68.44 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.713 0.292 . . . . 0.0 110.986 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.0 -25.67 65.46 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.153 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.8 t -61.79 -42.18 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-O 120.859 0.362 . . . . 0.0 110.294 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -77.08 -32.32 56.61 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.0 64.82 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.678 0.275 . . . . 0.0 110.925 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.1 169.71 39.55 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.47 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.09 94.78 44.92 Favored Pre-proline 0 N--CA 1.468 0.445 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.22 145.02 15.0 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 122.452 2.101 . . . . 0.0 112.64 -171.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.41 143.22 48.61 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.058 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -142.08 13.1 2.03 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.2 -22.07 64.83 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.119 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -150.43 145.16 25.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.55 -29.01 69.57 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.497 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 56.8 m -97.23 19.25 13.37 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.189 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.8 t -113.23 133.65 54.98 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.167 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.2 m -132.87 15.75 4.28 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.465 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.05 138.41 57.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 43.2 t -128.32 121.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.96 142.4 18.33 Favored Glycine 0 N--CA 1.478 1.438 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.169 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.71 -17.75 62.19 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.428 0.156 . . . . 0.0 111.264 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.28 160.12 42.87 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -58.02 -38.79 76.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.216 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.1 p -57.65 -46.24 84.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.165 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.17 -34.06 76.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.266 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -69.82 -48.1 60.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.601 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.24 -41.31 92.9 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.99 -42.62 97.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -61.9 -40.91 97.09 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.879 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 11.4 t -61.98 -45.09 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.093 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.53 69.7 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 120.609 0.242 . . . . 0.0 111.089 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -89.42 -43.95 10.51 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.591 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.6 m -97.45 -18.3 19.14 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.085 0.469 . . . . 0.0 110.786 179.752 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -109.07 123.96 50.0 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.311 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.9 139.17 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.444 -169.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.84 127.64 32.72 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.387 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -109.59 24.08 13.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.94 153.89 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.75 114.68 1.98 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.9 t30 69.74 15.2 8.06 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.676 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.3 t -84.9 -78.63 0.24 Allowed 'General case' 0 CA--C 1.561 1.373 0 CA-C-O 120.759 0.314 . . . . 0.0 111.016 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.95 77.21 Favored Glycine 0 CA--C 1.554 2.478 0 CA-C-N 116.407 -0.36 . . . . 0.0 113.474 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -70.08 143.14 52.53 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 117.45 0.625 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.29 137.49 54.84 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 120.967 0.413 . . . . 0.0 111.124 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.17 151.51 47.23 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.041 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.495 ' HG2' ' HZ2' ' A' ' 118' ' ' LYS . 25.2 ttpt -64.49 -34.49 78.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.03 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.495 ' HZ2' ' HG2' ' A' ' 117' ' ' LYS . 30.6 mmtm -137.81 150.16 46.96 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.153 -174.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -65.2 -28.47 69.41 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.836 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.7 78.43 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 122.253 -0.279 . . . . 0.0 110.551 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -73.15 -36.69 66.7 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.573 0.225 . . . . 0.0 110.696 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.83 -47.19 86.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.769 0.318 . . . . 0.0 110.518 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -59.79 -40.14 87.32 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.642 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.8 -41.14 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.932 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -68.7 -45.07 72.57 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.65 0.262 . . . . 0.0 111.241 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.63 -31.75 72.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.342 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.89 54.06 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.449 0.166 . . . . 0.0 110.845 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.78 -46.73 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 122.403 -0.185 . . . . 0.0 111.236 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.49 -36.39 84.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.089 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.2 p -82.17 -18.63 42.11 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.43 31.51 17.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.39 0.676 . . . . 0.0 111.913 -175.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.65 155.78 45.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 169.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.47 132.57 27.35 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.18 -169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.78 -37.11 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.584 2.19 . . . . 0.0 113.235 -171.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.535 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -97.66 92.05 5.7 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 -169.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -96.2 140.93 30.19 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.5 t -73.9 120.66 82.38 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.455 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -88.99 6.08 4.75 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 122.838 2.359 . . . . 0.0 113.318 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.37 143.38 57.07 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.005 0.431 . . . . 0.0 110.997 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 103.42 1.58 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.8 -1.52 28.85 Favored Glycine 0 CA--C 1.545 1.945 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.506 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.73 157.96 16.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.794 0.33 . . . . 0.0 110.636 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -145.78 10.79 1.22 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.433 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.76 144.41 56.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.818 0.342 . . . . 0.0 110.756 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -135.19 153.3 52.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.376 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -134.04 158.19 44.19 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.977 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.0 p -82.15 -28.05 32.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.56 153.04 81.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.636 0.255 . . . . 0.0 110.597 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.2 Cg_endo -66.68 -28.5 44.16 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.551 2.168 . . . . 0.0 112.445 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.5 p -67.0 -37.77 84.81 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -37.08 69.62 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.792 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.7 tp -63.64 -43.8 95.72 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.718 0.294 . . . . 0.0 110.591 171.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.4 -42.07 81.55 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.88 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -37.74 86.15 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.914 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.41 -37.93 89.17 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.501 0.191 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.71 -31.32 68.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -59.72 -25.73 65.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.153 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.7 -41.91 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 120.741 0.305 . . . . 0.0 110.454 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -77.06 -30.68 55.65 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.268 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.9 -28.97 64.93 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 120.615 0.245 . . . . 0.0 110.949 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.49 170.66 40.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 116.404 -0.362 . . . . 0.0 112.33 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.08 94.75 45.0 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.6 145.19 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.488 2.125 . . . . 0.0 112.599 -171.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 142.3 44.42 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.1 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -145.22 13.46 1.42 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.466 172.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -62.72 -26.77 68.85 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.739 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -143.31 142.76 31.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.014 171.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.43 -20.39 63.78 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -96.05 17.16 16.08 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.35 0.26 . . . . 0.0 111.25 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.41 134.85 53.72 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.229 175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.0 m -130.95 15.73 5.21 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.532 -172.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.41 139.13 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.34 123.54 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.65 139.04 15.63 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 121.316 -0.468 . . . . 0.0 112.229 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.26 -24.61 67.95 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.175 0.19 . . . . 0.0 110.993 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.32 162.24 39.36 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.719 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -58.55 -39.38 80.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.299 -174.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -57.09 -48.07 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.432 0.158 . . . . 0.0 111.089 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.43 -34.44 76.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.239 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -68.63 -48.15 64.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.665 0.269 . . . . 0.0 110.673 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.54 -41.47 94.56 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -65.2 -40.87 94.78 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.978 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -61.83 -41.89 98.35 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.716 0.293 . . . . 0.0 110.682 175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.6 t -63.52 -45.01 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.185 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.86 76.74 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.819 0.342 . . . . 0.0 111.138 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -89.33 -23.87 22.14 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.4 t -116.73 -19.55 9.89 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -177.389 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.848 0.356 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -109.17 121.98 46.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.206 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.72 139.01 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.587 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.66 128.28 33.83 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.487 171.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 23.89 13.73 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.78 153.98 27.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 170.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.42 114.7 2.12 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.218 -171.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 69.7 15.02 8.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.732 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.1 t -83.92 -78.95 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 120.669 0.271 . . . . 0.0 111.047 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.18 14.1 79.21 Favored Glycine 0 CA--C 1.554 2.504 0 CA-C-N 116.386 -0.37 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -69.5 143.1 53.57 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 117.539 0.67 . . . . 0.0 110.609 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.12 136.12 54.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.894 0.378 . . . . 0.0 111.143 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.25 156.06 40.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.057 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.28 58.05 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -123.53 146.32 48.19 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 120.887 0.375 . . . . 0.0 110.986 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -64.22 -28.5 69.78 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -63.84 -32.55 74.1 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.451 -0.156 . . . . 0.0 110.957 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.95 -38.22 66.84 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 120.594 0.235 . . . . 0.0 110.711 172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.885 0.374 . . . . 0.0 110.504 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.13 -41.08 87.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.73 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 10.0 t -60.96 -41.15 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.72 -44.54 77.41 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.257 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.52 -31.87 73.16 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.296 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -28.8 52.89 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.827 -0.169 . . . . 0.0 110.925 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -68.17 -46.89 69.5 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.452 -0.155 . . . . 0.0 111.18 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.22 -36.34 83.76 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.795 0.331 . . . . 0.0 111.031 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.4 p -81.84 -18.47 43.8 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.76 32.33 17.29 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.326 0.65 . . . . 0.0 111.861 -175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.58 155.43 46.53 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.685 0.279 . . . . 0.0 110.318 169.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.0 mt -94.52 131.49 30.83 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.074 -170.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.26 -35.2 1.32 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.575 2.184 . . . . 0.0 113.202 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 77.3 m-85 -101.54 92.38 4.87 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.491 -169.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -96.41 140.28 31.3 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.5 t -73.89 118.96 73.61 Favored Pre-proline 0 CA--C 1.563 1.447 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -89.95 5.16 4.63 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.801 2.334 . . . . 0.0 113.231 -172.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.92 147.52 53.24 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.975 0.417 . . . . 0.0 111.095 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.29 120.72 13.28 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.67 -2.19 72.89 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.638 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.6 t -106.04 152.49 23.3 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.44 12.21 1.52 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.36 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 144.72 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 120.831 0.348 . . . . 0.0 110.729 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.4 153.92 51.2 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.289 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -134.07 157.17 46.83 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.128 -169.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 p -83.69 -26.12 30.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.408 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -130.43 155.09 81.56 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.281 0.233 . . . . 0.0 110.647 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.0 Cg_endo -67.57 -34.0 26.97 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.36 2.04 . . . . 0.0 112.144 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 p -62.46 -35.59 79.78 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.097 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -72.92 -37.94 67.04 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.912 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.93 -45.42 81.92 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.81 0.338 . . . . 0.0 110.778 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -59.63 -39.18 83.46 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.008 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -70.44 -38.06 74.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.814 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -60.93 -33.82 73.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.668 0.271 . . . . 0.0 111.065 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.45 -31.1 67.46 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 120.802 0.334 . . . . 0.0 110.696 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -59.52 -25.74 64.74 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.264 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.9 -42.78 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.592 0.234 . . . . 0.0 110.671 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.03 -27.36 54.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.269 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.35 64.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.707 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.5 174.7 50.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.529 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.14 94.73 44.91 Favored Pre-proline 0 C--O 1.236 0.359 0 C-N-CA 122.477 0.311 . . . . 0.0 110.231 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.14 140.41 13.99 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 122.205 1.937 . . . . 0.0 112.317 -174.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -70.98 142.01 51.01 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -142.77 12.5 1.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.83 -23.33 66.02 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.62 144.84 25.5 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.792 0.33 . . . . 0.0 110.613 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.71 -27.45 68.34 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.485 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.3 m -95.51 19.71 10.59 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.142 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.66 134.73 54.84 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.224 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.0 m -134.45 15.73 3.72 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.467 -172.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.19 141.86 57.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.642 0.258 . . . . 0.0 110.915 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.31 122.32 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 120.847 0.356 . . . . 0.0 110.409 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.39 133.42 11.82 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.115 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.06 -17.01 64.42 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 122.865 -0.197 . . . . 0.0 111.197 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.24 163.02 39.82 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.842 0.353 . . . . 0.0 110.491 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -57.59 -41.13 80.59 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.326 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.4 p -57.09 -46.56 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.419 0.152 . . . . 0.0 111.198 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.95 -34.51 77.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.262 -175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -70.14 -48.06 59.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.614 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.75 -41.82 91.85 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.85 0.357 . . . . 0.0 110.815 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.88 -43.63 95.44 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.91 -41.7 98.22 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.77 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.86 -45.03 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.052 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.82 78.41 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.075 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.35 -28.64 19.68 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.77 -20.87 12.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -169.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 CA-C-O 120.755 0.312 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -109.16 124.09 50.27 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.35 139.09 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.612 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.91 128.95 34.74 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.507 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -111.1 24.33 13.02 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.36 154.74 23.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.23 114.73 2.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -171.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.65 15.18 8.16 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.678 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.6 t -84.79 -78.94 0.23 Allowed 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 120.69 0.281 . . . . 0.0 111.005 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.2 78.91 Favored Glycine 0 CA--C 1.555 2.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 113.508 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -70.33 143.58 51.94 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.447 0.623 . . . . 0.0 110.656 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.58 137.32 54.93 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.803 0.335 . . . . 0.0 111.216 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -126.18 156.85 39.52 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.284 -174.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.3 -39.56 92.67 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.06 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -134.67 148.64 50.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -62.9 -28.65 70.2 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.483 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -63.95 -33.72 76.35 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 122.428 -0.17 . . . . 0.0 110.947 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -73.0 -36.42 67.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.66 0.266 . . . . 0.0 110.814 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.11 -47.1 86.13 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -58.5 -40.69 83.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.682 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.39 -41.22 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -70.09 -45.01 67.87 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.181 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -66.3 -31.74 72.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.278 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.78 54.81 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.909 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.29 -46.47 70.23 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 122.474 -0.141 . . . . 0.0 111.262 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.39 83.94 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.092 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.2 p -82.91 -19.53 37.13 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.992 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 30.37 18.3 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 123.292 0.637 . . . . 0.0 111.999 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -128.92 156.25 44.02 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 169.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -95.39 132.13 28.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.171 -170.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.83 -36.1 0.86 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.559 2.173 . . . . 0.0 113.306 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.37 97.11 7.9 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.528 -169.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.58 138.43 40.94 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.3 t -73.87 121.29 84.81 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.413 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.98 4.88 3.72 Favored 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 122.847 2.365 . . . . 0.0 113.27 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -64.96 147.12 54.01 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.928 0.394 . . . . 0.0 111.121 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.39 120.67 13.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 91.88 -0.84 73.67 Favored Glycine 0 CA--C 1.545 1.955 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.639 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.6 t -110.53 155.14 22.71 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.85 0.357 . . . . 0.0 110.654 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -148.4 14.47 0.98 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 142.89 58.24 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 120.845 0.355 . . . . 0.0 110.682 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -134.59 149.71 50.63 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.11 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -133.06 158.5 42.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.396 -169.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.9 p -84.45 -27.17 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.421 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.37 155.88 79.37 Favored Pre-proline 0 N--CA 1.482 1.138 0 C-N-CA 122.289 0.236 . . . . 0.0 110.656 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 17.9 Cg_endo -66.57 -36.14 26.89 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.284 1.989 . . . . 0.0 112.123 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.4 m -62.34 -34.39 76.56 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.714 0.292 . . . . 0.0 111.069 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -73.09 -36.86 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.959 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.73 -44.99 76.31 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.656 0.265 . . . . 0.0 110.66 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -57.12 -36.51 70.75 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 120.606 0.241 . . . . 0.0 110.812 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.32 -43.45 77.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.861 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -58.98 -34.02 71.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.321 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.57 -31.3 67.88 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 122.347 -0.221 . . . . 0.0 110.949 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -59.67 -26.63 65.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.099 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.77 -40.75 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 120.651 0.262 . . . . 0.0 110.833 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -77.21 -35.03 55.96 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.234 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.02 64.72 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 120.609 0.243 . . . . 0.0 111.102 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.26 174.86 47.65 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 112.661 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -124.28 94.73 44.66 Favored Pre-proline 0 C--O 1.235 0.311 0 C-N-CA 122.605 0.362 . . . . 0.0 110.353 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.31 141.36 16.03 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.307 2.004 . . . . 0.0 112.385 -174.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.46 140.61 48.37 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 12.16 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.421 174.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.91 -22.27 65.96 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.167 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.59 147.04 26.95 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.88 -29.35 69.77 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -96.39 19.12 12.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.607 0.242 . . . . 0.0 111.217 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.72 131.53 56.15 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 69.0 p -134.04 14.67 3.9 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -172.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.99 142.43 51.18 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.817 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 120.24 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.887 0.375 . . . . 0.0 110.295 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.63 133.13 11.6 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.047 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -15.5 61.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 122.755 -0.262 . . . . 0.0 111.374 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.96 163.23 39.7 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.755 0.312 . . . . 0.0 110.341 176.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -57.21 -40.35 77.3 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.5 p -57.94 -47.97 81.32 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.32 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.21 -34.59 76.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.223 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.86 -47.99 60.55 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.563 0.221 . . . . 0.0 110.738 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.04 -41.34 92.06 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.987 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -64.03 -42.87 96.96 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.89 -42.1 98.68 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.683 0.278 . . . . 0.0 110.763 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.97 -45.01 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.061 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.68 -33.46 75.68 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.004 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.27 -26.77 20.99 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.02 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 4.4 t -113.16 -21.68 10.9 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.561 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 120.841 0.353 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.04 123.04 48.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.309 -176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.4 139.11 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.657 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.59 129.45 35.64 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.447 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -111.49 24.52 12.69 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.869 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.11 25.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.0 114.75 2.06 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.884 0.374 . . . . 0.0 111.222 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.1 t30 69.75 15.16 8.06 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.69 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.28 -78.87 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.679 0.276 . . . . 0.0 110.967 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.53 14.44 77.53 Favored Glycine 0 CA--C 1.553 2.459 0 CA-C-N 116.368 -0.378 . . . . 0.0 113.375 174.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -70.27 143.04 52.22 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 117.528 0.664 . . . . 0.0 110.608 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.27 137.86 54.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -173.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -126.09 151.1 47.66 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.061 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.478 ' HG2' ' HZ2' ' A' ' 118' ' ' LYS . 26.2 ttpt -63.84 -34.43 77.91 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.478 ' HZ2' ' HG2' ' A' ' 117' ' ' LYS . 30.1 mmtm -137.0 147.44 46.26 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.861 0.362 . . . . 0.0 111.312 -174.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -63.92 -28.84 70.1 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.637 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -63.94 -34.81 78.81 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 122.406 -0.183 . . . . 0.0 110.994 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.16 -36.11 66.56 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.629 0.252 . . . . 0.0 110.707 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.11 -47.17 87.01 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 120.676 0.274 . . . . 0.0 110.457 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.59 -43.79 84.91 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.656 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.69 -41.09 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.947 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.41 -45.07 73.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.551 0.215 . . . . 0.0 111.145 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.06 -31.81 73.21 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.471 0.176 . . . . 0.0 111.349 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.82 53.84 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.828 175.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -67.91 -47.0 69.99 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.393 -0.192 . . . . 0.0 111.327 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.16 -36.43 84.04 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.805 0.336 . . . . 0.0 111.065 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.7 p -81.79 -18.42 44.16 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.99 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.81 32.35 17.45 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.336 0.654 . . . . 0.0 111.843 -175.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.25 155.79 45.71 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.61 132.58 27.16 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 120.656 0.265 . . . . 0.0 111.139 -169.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -79.09 -36.78 0.65 Allowed 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.56 2.174 . . . . 0.0 113.265 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.528 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 84.8 m-85 -99.48 93.64 5.99 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.482 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -100.88 142.52 32.23 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.91 0.386 . . . . 0.0 111.031 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.89 122.99 88.9 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.513 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.68 4.22 3.49 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 122.811 2.341 . . . . 0.0 113.439 -171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -70.43 150.89 45.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.997 0.427 . . . . 0.0 111.014 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.35 134.61 52.94 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 80.37 2.62 89.52 Favored Glycine 0 CA--C 1.55 2.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.733 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -118.93 152.17 36.81 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.834 0.35 . . . . 0.0 110.704 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.24 15.9 0.82 Allowed 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.276 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -65.02 148.19 52.1 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.705 0.288 . . . . 0.0 110.646 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -134.5 151.89 51.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.05 160.12 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.09 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.4 p -86.2 -18.35 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.1 mt -140.47 153.04 68.0 Favored Pre-proline 0 N--CA 1.472 0.663 0 CA-C-O 120.764 0.316 . . . . 0.0 111.098 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 27.6 Cg_endo -66.98 -33.79 31.34 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.716 2.277 . . . . 0.0 112.409 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.0 p -63.8 -37.45 87.42 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -72.44 -39.13 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.987 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.57 -45.73 91.56 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.16 -38.37 79.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.944 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.26 -40.61 81.86 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.856 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -61.0 -33.89 73.94 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -58.41 -31.08 67.38 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 110.695 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.35 -25.74 64.47 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.084 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.78 -42.79 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-O 120.609 0.242 . . . . 0.0 110.47 175.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.05 -30.73 55.77 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.324 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -28.92 64.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.48 169.92 37.44 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.295 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.07 94.73 45.05 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.87 144.93 13.95 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.45 2.1 . . . . 0.0 112.634 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 140.7 49.96 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.111 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -142.04 12.3 2.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.538 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -68.27 -23.0 64.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.15 145.3 26.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.802 0.334 . . . . 0.0 110.722 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -27.13 67.55 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.53 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.6 m -97.25 20.43 11.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.311 0.244 . . . . 0.0 111.128 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.5 t -116.53 134.48 54.8 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.223 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.2 m -133.7 16.32 3.96 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.504 -172.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.72 140.3 57.58 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.666 0.269 . . . . 0.0 110.83 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.31 123.62 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.424 170.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.7 140.35 15.91 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 121.276 -0.487 . . . . 0.0 112.113 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -67.63 -19.96 65.28 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 122.873 -0.193 . . . . 0.0 111.078 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.19 162.61 39.65 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.644 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.15 -40.5 77.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.387 -175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.9 p -57.6 -46.02 84.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.079 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.75 -36.04 81.77 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.258 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -68.84 -48.04 64.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.64 0.257 . . . . 0.0 110.686 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.09 -39.64 90.71 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -63.99 -43.14 96.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.98 -42.79 99.53 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.795 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -62.83 -45.06 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.153 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.71 72.94 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.907 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -89.32 -31.02 18.01 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.057 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 79.5 m -110.4 -19.85 12.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -169.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.169 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 120.863 0.363 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -109.19 122.78 48.05 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.312 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.6 139.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.634 -169.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.4 127.64 32.9 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.482 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.71 23.93 13.75 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.35 153.87 25.55 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 170.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.95 114.68 2.02 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 69.71 15.09 8.1 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.727 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.82 -78.43 0.23 Allowed 'General case' 0 CA--C 1.563 1.467 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.97 13.21 79.23 Favored Glycine 0 CA--C 1.553 2.464 0 CA-C-N 116.35 -0.387 . . . . 0.0 113.433 174.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -70.48 143.27 51.78 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.462 0.631 . . . . 0.0 110.555 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.08 137.24 54.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.977 0.418 . . . . 0.0 111.104 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -126.1 151.34 47.35 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.066 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.471 ' HG2' ' HZ3' ' A' ' 118' ' ' LYS . 27.7 ttpt -62.92 -34.03 76.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.091 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HZ3' ' HG2' ' A' ' 117' ' ' LYS . 29.5 mmtm -137.16 148.72 46.79 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.38 -172.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -65.33 -28.72 69.5 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.523 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.38 -38.74 92.08 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.506 0.194 . . . . 0.0 110.797 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -72.97 -34.1 66.27 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.667 0.27 . . . . 0.0 110.639 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.67 -47.08 85.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -61.86 -37.33 84.1 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.722 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.52 -41.2 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 175.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -68.31 -44.93 74.3 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.644 0.259 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -64.47 -31.74 73.08 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.362 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -28.81 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 116.804 -0.18 . . . . 0.0 110.799 175.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.1 t -67.77 -47.14 70.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.264 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.06 -36.37 83.78 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.002 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.7 p -81.66 -18.0 46.08 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.12 32.72 16.33 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.306 0.642 . . . . 0.0 111.942 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -130.6 156.15 45.35 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.79 132.01 26.89 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.147 -169.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -79.91 -38.67 0.34 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.501 2.134 . . . . 0.0 113.304 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.559 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.6 m-85 -93.66 93.41 8.02 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.491 -170.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.01 143.12 28.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.776 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 39.6 t -74.03 121.12 84.45 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.349 175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -88.62 4.25 5.57 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.27 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -63.95 143.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.988 0.423 . . . . 0.0 111.044 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.68 113.94 5.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -0.67 55.33 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.547 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.4 t -106.87 157.63 17.62 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.799 0.333 . . . . 0.0 110.655 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 11.52 0.91 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.445 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.05 146.73 54.02 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.754 0.311 . . . . 0.0 110.665 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 36.9 mtp85 -135.04 150.84 50.36 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.491 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -134.02 159.18 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -169.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -85.61 -19.54 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.542 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.67 153.77 58.59 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.559 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.2 Cg_endo -64.68 -24.97 61.8 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.4 p -66.53 -40.98 89.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.536 0.335 . . . . 0.0 111.217 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.03 -35.27 66.72 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.082 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.91 -44.2 90.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.653 0.263 . . . . 0.0 110.55 171.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -54.89 -44.67 74.33 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.892 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -40.52 91.5 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.752 176.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.15 -39.21 91.85 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.501 0.191 . . . . 0.0 111.277 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -31.51 68.3 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.579 0.228 . . . . 0.0 110.823 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -59.73 -25.84 65.16 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.152 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -42.58 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.736 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -76.94 -30.17 55.94 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.283 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.06 65.04 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.71 174.93 50.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.554 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.18 94.84 44.69 Favored Pre-proline 0 C--O 1.237 0.438 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.83 142.42 15.83 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.356 2.037 . . . . 0.0 112.338 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.7 t -73.65 142.48 46.48 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -142.74 13.23 1.9 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.569 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.68 -22.65 65.28 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.6 144.83 25.52 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.873 0.368 . . . . 0.0 110.686 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.75 -26.46 67.74 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.467 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.0 m -97.65 20.31 12.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.259 0.223 . . . . 0.0 111.132 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 13.0 t -115.14 134.51 55.1 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.26 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.7 m -134.05 16.51 3.83 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.437 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.33 141.7 58.16 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.648 0.261 . . . . 0.0 110.883 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.35 122.37 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 120.884 0.373 . . . . 0.0 110.266 170.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.86 131.45 10.4 Favored Glycine 0 N--CA 1.471 0.999 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.054 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -64.11 -18.04 64.03 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 120.617 0.246 . . . . 0.0 111.238 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 161.43 42.1 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.82 0.343 . . . . 0.0 110.337 176.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -58.2 -39.87 80.11 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.345 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.1 p -56.94 -47.4 80.75 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.497 0.189 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.94 -34.57 76.35 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.273 -175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.05 -48.04 59.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.59 0.234 . . . . 0.0 110.56 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.19 -41.47 93.01 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -69.93 -36.86 75.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.546 0.213 . . . . 0.0 110.714 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.74 -44.99 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.04 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.21 -31.7 73.0 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.13 -176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -89.17 -36.6 15.59 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.716 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.1 t -101.24 -22.65 14.59 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -169.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 CA--C 1.551 0.989 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -177.483 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.723 0 CA-C-O 120.774 0.321 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -109.11 122.14 46.64 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.263 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.96 139.08 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.872 -168.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.48 130.12 35.67 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.493 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -112.34 24.25 12.76 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.37 152.95 28.11 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.92 114.76 2.05 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 111.319 -171.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.83 15.07 7.98 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.726 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.75 -78.82 0.24 Allowed 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 120.705 0.288 . . . . 0.0 111.039 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.11 78.69 Favored Glycine 0 CA--C 1.552 2.405 0 CA-C-N 116.409 -0.36 . . . . 0.0 113.448 173.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -70.89 143.66 50.92 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.471 0.635 . . . . 0.0 110.693 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.47 136.63 54.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.857 0.361 . . . . 0.0 111.14 -173.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -126.19 155.67 41.4 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.146 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -31.92 58.84 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -124.04 146.57 48.47 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 120.778 0.323 . . . . 0.0 111.07 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -65.37 -28.63 69.41 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.531 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.99 -32.42 73.95 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 122.327 -0.233 . . . . 0.0 110.902 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -71.89 -37.84 70.08 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.523 0.202 . . . . 0.0 110.634 171.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -47.1 88.0 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.32 -43.57 83.43 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.662 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.4 -41.29 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.003 176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -68.79 -44.61 73.22 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.099 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.12 -36.42 81.7 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -54.95 -33.26 62.13 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 176.085 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -63.76 -34.95 79.03 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 122.454 -0.154 . . . . 0.0 111.409 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.78 -36.25 59.85 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 44.4 p -80.81 -20.84 41.61 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 53.25 30.84 10.62 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.392 0.677 . . . . 0.0 112.013 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -124.63 145.52 49.59 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.5 mt -91.98 130.83 36.97 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-O 120.822 0.344 . . . . 0.0 111.417 -168.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -77.2 -35.7 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.661 2.241 . . . . 0.0 113.149 -171.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.525 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -98.16 91.33 5.21 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.393 -170.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -94.81 141.57 28.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.86 120.16 79.85 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -92.74 5.87 3.21 Favored 'Trans proline' 0 CA--C 1.55 1.316 0 C-N-CA 122.811 2.341 . . . . 0.0 113.274 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -73.78 147.67 43.23 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.01 0.433 . . . . 0.0 111.066 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.21 126.85 29.06 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.48 79.41 Favored Glycine 0 CA--C 1.545 1.951 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.739 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -115.24 152.87 31.91 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -143.58 17.2 1.84 Allowed 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 146.89 53.32 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.821 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -137.09 149.89 47.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 120.826 0.346 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -134.05 157.8 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.114 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 p -83.86 -27.19 28.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.488 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -132.19 156.94 79.5 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 122.369 0.267 . . . . 0.0 110.354 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.525 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 28.5 Cg_endo -66.94 -27.56 42.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.349 2.033 . . . . 0.0 112.287 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.5 p -61.89 -43.04 99.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.704 0.288 . . . . 0.0 110.988 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -39.44 83.93 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp -67.02 -47.17 72.25 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.707 0.289 . . . . 0.0 110.87 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -58.94 -37.29 76.37 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -72.45 -37.49 68.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.989 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -63.16 -33.97 76.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.301 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.57 -30.33 67.07 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.578 0.227 . . . . 0.0 110.777 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.39 -25.8 64.58 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.201 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.79 -42.48 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.732 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -76.87 -28.23 55.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.166 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.682 0.277 . . . . 0.0 110.837 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.53 173.43 48.19 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.512 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.11 94.64 45.11 Favored Pre-proline 0 C--O 1.236 0.381 0 C-N-CA 122.482 0.313 . . . . 0.0 110.237 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.92 140.0 12.45 Favored 'Trans proline' 0 N--CA 1.443 -1.455 0 C-N-CA 122.265 1.977 . . . . 0.0 112.226 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 t -70.87 141.71 51.22 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -142.97 12.44 1.83 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.421 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.01 -22.9 65.88 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -149.21 145.0 26.91 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 -28.11 69.48 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.383 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -93.41 13.99 19.92 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.429 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.71 158.02 15.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 120.676 0.274 . . . . 0.0 110.322 173.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.6 p -152.23 6.79 0.44 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.25 141.21 58.71 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.699 0.285 . . . . 0.0 110.984 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.26 122.17 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 169.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.06 134.13 12.37 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.092 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.83 -16.28 64.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 122.847 -0.208 . . . . 0.0 111.235 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 163.09 39.53 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 120.869 0.366 . . . . 0.0 110.503 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -57.67 -41.5 81.69 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.285 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.7 p -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.449 0.166 . . . . 0.0 111.219 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.93 -36.0 80.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.286 -175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -69.24 -47.98 63.18 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.56 0.219 . . . . 0.0 110.598 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.72 -40.67 88.74 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.689 0.28 . . . . 0.0 110.988 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -66.01 -42.39 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.043 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -61.9 -42.06 98.63 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.705 0.288 . . . . 0.0 110.559 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 8.1 t -62.91 -45.03 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.048 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.63 84.01 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.069 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.26 -22.64 22.61 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.13 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -116.99 -21.59 8.85 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.227 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 120.847 0.355 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.15 123.38 49.11 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.14 139.02 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.664 -169.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.9 t -77.85 128.02 33.31 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.481 171.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -110.18 24.25 13.25 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.91 153.93 27.71 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.88 114.73 2.02 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -172.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.08 8.06 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.51 -78.94 0.25 Allowed 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 120.739 0.304 . . . . 0.0 110.935 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.39 15.97 77.26 Favored Glycine 0 CA--C 1.553 2.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.459 174.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -70.26 142.68 52.28 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.467 0.634 . . . . 0.0 110.599 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.41 136.88 54.99 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.933 0.397 . . . . 0.0 111.194 -173.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.21 156.13 40.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.951 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HG2' ' HZ2' ' A' ' 118' ' ' LYS . 29.3 tttp -61.45 -44.39 97.2 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.011 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HZ2' ' HG2' ' A' ' 117' ' ' LYS . 18.8 mttp -139.17 155.74 47.62 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -171.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -63.75 -28.65 70.03 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.12 -169.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.8 85.08 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 122.285 -0.259 . . . . 0.0 110.696 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.01 -35.74 66.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.766 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.15 -47.2 85.6 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.59 0.233 . . . . 0.0 110.552 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -61.02 -38.64 86.81 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.73 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.0 t -60.22 -41.31 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -69.14 -44.98 71.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.244 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -65.82 -31.77 72.92 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.426 0.155 . . . . 0.0 111.291 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.8 54.92 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.103 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.6 p -69.63 -40.83 76.32 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.379 -0.201 . . . . 0.0 111.399 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.73 -36.42 78.4 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -82.29 -18.79 41.1 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.0 30.54 16.34 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.331 0.652 . . . . 0.0 111.978 -176.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -128.94 157.08 42.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.391 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.9 mt -96.5 131.19 28.82 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 120.644 0.259 . . . . 0.0 111.316 -169.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -78.63 -37.5 0.65 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.5 2.133 . . . . 0.0 113.326 -170.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -96.72 95.48 7.95 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.866 0.365 . . . . 0.0 110.623 -169.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.23 142.93 29.29 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.37 122.09 86.1 Favored Pre-proline 0 CA--C 1.564 1.486 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -91.42 5.17 3.92 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.862 2.375 . . . . 0.0 113.23 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -63.77 143.66 57.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.37 107.44 2.42 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.94 -1.55 33.67 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.523 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -112.43 157.49 20.99 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -149.85 13.01 0.79 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.56 -176.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -66.57 149.1 50.97 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.744 0.307 . . . . 0.0 110.808 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -133.29 152.19 51.92 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 64.6 m-85 -134.1 163.99 28.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.414 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.6 m -84.99 -25.31 27.82 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.696 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.3 mt -136.73 154.78 76.71 Favored Pre-proline 0 N--CA 1.473 0.702 0 CA-C-O 120.692 0.282 . . . . 0.0 111.015 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.5 Cg_endo -66.08 -34.97 35.64 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.527 2.151 . . . . 0.0 112.162 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 89.1 p -64.7 -34.28 77.93 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.005 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -39.15 67.46 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.8 tp -66.18 -45.38 81.07 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.759 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.83 -39.18 77.07 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -68.97 -37.72 78.96 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.898 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 79.6 t60 -63.37 -38.78 92.48 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.48 0.181 . . . . 0.0 111.112 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.75 -31.28 68.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.611 0.243 . . . . 0.0 110.609 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -59.63 -25.7 64.88 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.075 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.71 -42.38 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.35 -30.96 57.83 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.178 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.91 -29.08 65.04 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 120.644 0.259 . . . . 0.0 111.08 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.28 168.45 38.85 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 112.411 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.05 144.92 15.2 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.43 2.087 . . . . 0.0 112.493 -172.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -71.75 140.16 49.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.022 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.69 12.02 2.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.466 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -68.26 -21.88 64.79 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.21 143.8 25.22 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.29 -27.67 68.79 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.358 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 63.9 m -98.27 16.86 20.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.272 0.229 . . . . 0.0 111.27 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.87 162.42 15.47 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 171.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.5 p -149.87 0.76 0.48 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -65.3 136.56 56.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.731 0.3 . . . . 0.0 111.185 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.33 120.66 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.223 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.19 141.5 18.37 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.249 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.01 -21.25 65.05 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.523 0.201 . . . . 0.0 111.14 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.54 161.08 41.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 120.937 0.398 . . . . 0.0 110.734 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -57.89 -40.09 79.44 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.328 -175.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.7 p -57.4 -45.16 84.82 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.095 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.34 -33.72 76.15 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.359 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.71 -48.14 49.29 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 110.682 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.32 -40.0 89.03 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -65.42 -42.15 92.81 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -61.88 -40.36 95.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.718 0.294 . . . . 0.0 110.667 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.6 t -61.59 -44.97 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.152 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.73 71.7 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.786 0.326 . . . . 0.0 111.024 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.14 -28.79 19.81 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.868 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.0 m -114.34 -17.41 11.81 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.625 0.25 . . . . 0.0 111.519 -177.704 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.853 0.359 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -109.11 123.16 48.74 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.351 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.91 138.98 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.694 -169.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.71 128.39 33.98 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.489 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -110.38 24.18 13.32 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.63 154.74 24.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.71 114.77 2.2 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-O 120.85 0.357 . . . . 0.0 111.15 -171.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.9 t30 69.71 15.11 8.11 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.727 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.81 -78.65 0.24 Allowed 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.13 13.63 79.35 Favored Glycine 0 CA--C 1.555 2.531 0 CA-C-N 116.29 -0.414 . . . . 0.0 113.431 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -69.65 143.21 53.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 117.516 0.658 . . . . 0.0 110.693 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.81 136.96 55.04 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.901 0.381 . . . . 0.0 111.156 -173.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -126.2 155.93 41.01 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.252 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -64.64 -40.39 95.37 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -134.15 148.02 50.88 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 -172.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -61.77 -28.65 69.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.505 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.87 -35.03 79.31 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 122.409 -0.182 . . . . 0.0 110.925 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -73.08 -37.0 66.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.61 0.243 . . . . 0.0 110.735 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.66 -47.16 86.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.836 0.35 . . . . 0.0 110.472 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.71 -40.71 84.5 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.734 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.6 t -60.16 -41.19 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.838 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -69.16 -45.05 70.98 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.573 0.225 . . . . 0.0 111.268 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -65.89 -31.73 72.83 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.354 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -28.82 54.11 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 120.427 0.156 . . . . 0.0 110.879 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -67.91 -46.82 70.48 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 122.402 -0.186 . . . . 0.0 111.227 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.37 83.89 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.769 0.318 . . . . 0.0 111.011 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.27 -18.59 41.86 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.88 30.8 16.56 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.358 0.663 . . . . 0.0 112.0 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -129.43 155.93 44.9 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.339 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.2 mt -95.6 132.48 27.37 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-O 120.677 0.275 . . . . 0.0 111.108 -169.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.69 -36.48 0.83 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.475 2.117 . . . . 0.0 113.206 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.48 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.45 94.09 6.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.914 0.387 . . . . 0.0 110.6 -169.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.15 139.49 33.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.634 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.2 t -73.91 121.01 84.15 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.606 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.59 4.34 4.0 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.801 2.334 . . . . 0.0 113.449 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -69.09 147.59 51.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 127.98 33.86 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.748 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.14 -0.04 83.44 Favored Glycine 0 CA--C 1.547 2.082 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.658 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.7 149.63 32.65 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -141.06 12.48 2.22 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -65.88 145.69 55.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -134.15 152.74 51.97 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -134.09 157.92 44.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.95 -169.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 p -82.38 -27.41 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.419 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.63 155.23 80.62 Favored Pre-proline 0 N--CA 1.477 0.912 0 O-C-N 123.081 0.238 . . . . 0.0 110.783 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.48 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 23.0 Cg_endo -67.3 -34.76 26.29 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.442 2.095 . . . . 0.0 112.068 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.9 p -62.24 -35.32 78.57 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.08 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -73.01 -37.58 66.89 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.036 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.74 -46.74 74.47 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.729 0.299 . . . . 0.0 110.75 173.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.5 81.1 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.843 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -69.5 -40.83 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.889 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.89 -33.77 72.27 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.032 174.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.42 -31.2 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 120.561 0.22 . . . . 0.0 110.887 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -59.57 -25.7 64.79 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.262 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.85 -41.24 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.705 0.288 . . . . 0.0 110.598 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -77.11 -32.67 56.7 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.287 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.02 64.93 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.7 0.286 . . . . 0.0 111.0 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.79 174.13 48.06 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.61 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.545 0.338 . . . . 0.0 110.244 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.95 142.21 15.48 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.356 2.037 . . . . 0.0 112.39 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.45 140.22 49.95 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -139.75 11.7 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.29 -20.8 63.9 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.125 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -151.29 145.42 25.33 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.831 0.348 . . . . 0.0 110.667 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.61 -27.58 68.5 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.554 -175.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -98.99 20.13 13.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.561 0.22 . . . . 0.0 111.194 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.6 t -114.48 130.31 56.72 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.174 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -131.48 15.66 4.96 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.536 -171.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.66 141.58 56.62 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.603 0.24 . . . . 0.0 110.918 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.5 t -128.36 122.37 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-O 120.846 0.355 . . . . 0.0 110.346 170.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.72 133.22 11.63 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.114 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -66.8 -15.03 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 122.754 -0.262 . . . . 0.0 111.297 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 162.28 40.97 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.841 0.353 . . . . 0.0 110.411 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -57.64 -39.78 77.76 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.275 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.8 p -58.19 -46.69 85.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.477 0.18 . . . . 0.0 111.186 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.88 -35.26 79.42 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.264 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -69.33 -48.18 62.2 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.553 0.216 . . . . 0.0 110.622 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.62 -40.93 93.71 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.651 0.263 . . . . 0.0 110.975 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.92 -44.08 93.98 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.8 -45.11 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.084 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.92 71.61 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.795 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.24 -22.85 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.056 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 -19.02 6.17 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -169.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.564 0.221 . . . . 0.0 111.58 -178.084 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -109.27 122.81 48.15 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.438 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.83 139.03 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.485 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -79.43 128.35 33.24 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.523 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.48 24.06 13.45 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.948 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.18 154.68 22.67 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.197 170.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.41 114.76 1.95 Allowed 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.762 0.315 . . . . 0.0 111.162 -172.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.8 15.08 8.01 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.616 174.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.0 t -85.16 -78.22 0.26 Allowed 'General case' 0 CA--C 1.565 1.536 0 CA-C-O 120.651 0.262 . . . . 0.0 111.071 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.82 14.49 73.01 Favored Glycine 0 CA--C 1.553 2.461 0 CA-C-N 116.383 -0.372 . . . . 0.0 113.457 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -70.13 144.56 52.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 117.457 0.629 . . . . 0.0 110.677 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.93 136.56 54.91 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.35 160.03 31.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.12 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -61.48 -47.08 87.27 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.232 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -137.3 156.85 47.76 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -60.6 -28.34 68.42 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.542 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -37.23 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 122.291 -0.255 . . . . 0.0 110.777 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.09 -37.77 66.62 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.683 0.277 . . . . 0.0 110.68 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.41 -47.09 87.36 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.837 0.351 . . . . 0.0 110.575 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.63 -37.18 80.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.71 -41.23 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -69.5 -45.01 69.92 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.212 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.5 -31.8 73.07 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.195 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.86 55.04 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.806 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -69.22 -46.31 67.7 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.361 -0.212 . . . . 0.0 111.204 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -63.88 -36.27 83.38 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.071 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 74.0 p -83.24 -19.89 35.57 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 31.83 20.64 Favored 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 123.291 0.637 . . . . 0.0 111.896 -175.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.62 156.37 45.0 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 169.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -94.56 131.97 29.76 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-O 120.659 0.266 . . . . 0.0 111.038 -170.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.4 Cg_endo -78.82 -36.69 0.74 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.551 2.167 . . . . 0.0 113.266 -171.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 78.4 m-85 -100.87 94.05 5.84 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.549 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -100.81 141.76 33.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.06 121.06 84.29 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.489 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.57 5.52 3.77 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.857 2.371 . . . . 0.0 113.313 -172.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -68.41 151.97 46.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.939 0.4 . . . . 0.0 111.042 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.74 130.75 44.19 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.966 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.21 2.25 90.39 Favored Glycine 0 CA--C 1.549 2.18 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.767 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.9 t -114.48 150.95 34.03 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.844 0.354 . . . . 0.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -148.15 15.27 1.04 Allowed 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.23 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.02 146.21 53.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.752 0.311 . . . . 0.0 110.619 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -134.34 152.62 51.91 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.355 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -134.04 158.75 42.76 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.977 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 p -83.09 -27.97 29.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.47 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -128.99 155.84 79.06 Favored Pre-proline 0 N--CA 1.48 1.03 0 CA-C-O 120.61 0.243 . . . . 0.0 110.695 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.3 Cg_endo -67.14 -33.77 30.31 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.376 2.051 . . . . 0.0 112.164 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.4 p -62.37 -35.76 80.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.718 0.294 . . . . 0.0 111.062 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -73.08 -37.14 66.89 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.87 -45.64 77.48 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 172.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -58.15 -39.54 79.06 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.867 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -69.89 -40.16 75.84 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.969 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.12 -33.7 71.18 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.43 -30.99 67.32 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.593 0.235 . . . . 0.0 110.847 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -59.43 -25.86 64.69 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.153 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -43.13 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 120.608 0.242 . . . . 0.0 110.776 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -77.09 -29.69 55.07 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.294 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.83 -26.99 63.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 120.742 0.306 . . . . 0.0 110.777 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.28 173.66 49.84 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.403 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -124.06 94.68 45.15 Favored Pre-proline 0 C--O 1.236 0.365 0 C-N-CA 122.478 0.311 . . . . 0.0 110.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.8 142.1 13.9 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.347 2.032 . . . . 0.0 112.332 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.19 139.31 48.15 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.053 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.5 11.78 2.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.439 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.46 -21.76 64.61 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.42 143.33 24.73 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.34 -23.71 66.4 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.589 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.8 m -101.56 22.04 13.36 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.593 0.235 . . . . 0.0 111.115 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.64 132.01 56.76 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.148 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.1 m -131.8 16.15 4.78 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.509 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -62.09 141.32 58.19 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.661 0.267 . . . . 0.0 110.85 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.3 123.09 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 170.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.43 133.32 11.71 Favored Glycine 0 N--CA 1.472 1.094 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.996 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.33 -14.79 63.24 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.74 -0.271 . . . . 0.0 111.213 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.67 42.21 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.752 0.31 . . . . 0.0 110.367 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -57.37 -40.22 77.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.277 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 p -57.66 -47.01 83.47 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.863 -0.153 . . . . 0.0 111.198 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.18 -35.47 78.94 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.415 0.15 . . . . 0.0 111.199 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.46 -48.23 61.48 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.646 0.26 . . . . 0.0 110.648 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.09 -40.98 91.5 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -63.97 -43.79 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -61.96 -42.89 99.63 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.866 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.9 t -62.11 -45.09 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.124 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.31 -32.46 73.89 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 120.717 0.294 . . . . 0.0 110.984 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.17 -28.66 19.86 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.925 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.02 -20.21 12.05 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.213 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.824 0.345 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.09 124.53 50.92 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.306 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.01 139.11 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.986 0.422 . . . . 0.0 111.628 -169.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.2 t -77.8 127.02 31.74 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.397 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -109.08 23.82 14.0 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -61.73 153.38 28.52 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.94 114.71 2.03 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.75 14.98 8.08 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.69 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.63 -79.63 0.22 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.674 0.273 . . . . 0.0 110.977 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.45 15.22 80.46 Favored Glycine 0 CA--C 1.555 2.573 0 CA-C-N 116.354 -0.385 . . . . 0.0 113.455 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -71.09 143.35 50.68 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 117.498 0.649 . . . . 0.0 110.688 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 137.51 54.86 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -126.2 154.68 42.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.273 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -66.93 -37.97 85.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.313 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -135.63 148.98 49.2 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.697 0.284 . . . . 0.0 110.803 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -66.31 -28.97 69.09 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -170.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -30.42 71.42 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 122.379 -0.201 . . . . 0.0 110.78 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -73.16 -37.55 66.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.59 0.233 . . . . 0.0 110.683 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.95 -47.13 86.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.693 0.282 . . . . 0.0 110.492 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.27 -39.32 86.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 t -59.2 -41.17 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.53 -44.99 69.85 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.214 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.34 -31.87 72.92 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.334 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.9 55.08 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.888 175.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.74 -46.56 71.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 122.481 -0.137 . . . . 0.0 111.197 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.77 -36.3 83.87 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.839 0.352 . . . . 0.0 111.142 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 p -82.34 -18.85 40.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 30.41 16.94 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.342 0.657 . . . . 0.0 111.955 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.99 156.45 43.78 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.617 0.246 . . . . 0.0 110.378 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.71 131.27 28.4 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.095 -169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -79.04 -37.88 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.587 2.191 . . . . 0.0 113.288 -170.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.48 97.56 9.53 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.756 0.312 . . . . 0.0 110.6 -169.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.36 142.98 31.09 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 120.833 0.349 . . . . 0.0 110.948 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.95 121.24 84.63 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.23 4.74 4.61 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.851 2.368 . . . . 0.0 113.188 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.93 146.45 54.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.022 0.439 . . . . 0.0 111.009 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.54 118.44 9.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.08 65.73 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.602 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -109.75 155.83 21.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.854 0.359 . . . . 0.0 110.701 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -148.03 13.53 1.0 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -66.07 144.77 56.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.732 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -131.84 151.82 51.42 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -133.97 160.21 38.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.13 -169.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.8 p -83.42 -29.18 28.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.516 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.72 155.02 81.03 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 120.607 0.241 . . . . 0.0 110.8 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.471 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.6 Cg_endo -66.33 -36.85 26.01 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.447 2.098 . . . . 0.0 112.145 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 55.6 m -65.92 -31.34 72.21 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.042 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -72.54 -39.19 67.71 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.889 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp -66.13 -44.82 83.14 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -55.62 -42.32 74.74 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.11 90.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.727 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.26 -36.97 79.02 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.621 0.248 . . . . 0.0 111.185 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -58.72 -31.53 68.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 120.727 0.298 . . . . 0.0 110.842 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -59.78 -25.77 65.18 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.287 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.73 -40.89 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-O 120.659 0.266 . . . . 0.0 110.596 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.94 -30.14 55.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.24 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -73.05 -29.07 62.7 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.957 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.3 173.61 47.35 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.7 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.14 94.76 44.88 Favored Pre-proline 0 C--O 1.235 0.306 0 C-N-CA 122.684 0.394 . . . . 0.0 110.173 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.63 140.56 14.96 Favored 'Trans proline' 0 N--CA 1.445 -1.354 0 C-N-CA 122.295 1.996 . . . . 0.0 112.183 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.88 143.22 52.86 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -142.34 12.13 1.95 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.542 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -67.06 -23.37 65.86 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -148.63 144.05 26.94 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.85 -28.05 69.29 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.42 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.1 m -96.96 17.19 17.46 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.204 0.202 . . . . 0.0 111.326 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.01 159.03 15.35 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.0 p -149.93 3.8 0.54 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -64.69 139.68 58.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.683 0.278 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.29 120.32 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.181 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.84 134.7 12.86 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.122 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.05 -14.81 63.26 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 122.813 -0.228 . . . . 0.0 111.357 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 161.3 42.92 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.838 0.352 . . . . 0.0 110.486 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -58.13 -40.03 80.26 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.292 -176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -56.96 -47.05 81.65 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.016 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.28 -33.84 75.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.323 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -70.11 -48.19 58.62 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.594 0.235 . . . . 0.0 110.553 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.06 -42.04 93.65 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -66.58 -39.41 88.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -61.93 -41.37 97.87 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.62 0.248 . . . . 0.0 110.804 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.6 -45.09 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.87 73.13 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.172 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -89.22 -39.05 13.79 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.745 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.83 -18.88 16.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -169.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -133.8 38.99 3.19 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.967 0.413 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -32.78 68.84 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 120.969 0.414 . . . . 0.0 110.848 179.667 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 C4'-C3'-C2' 99.045 -3.655 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.051 0 C4'-C3'-C2' 99.643 -3.057 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 1 C4'-C3'-C2' 98.682 -4.018 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.59 -3.11 . 0.952 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.265 0 O5'-C5'-C4' 115.471 3.765 . 0.351 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.504 1 C3'-C2'-C1' 105.252 4.169 . 0.659 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 P-O3'-C3' 123.985 3.571 . 0.576 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 1 C3'-C2'-C1' 97.074 -4.917 . 0.677 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 C4'-C3'-C2' 99.369 -3.331 . 0.696 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 C4'-C3'-C2' 99.792 -2.908 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-O4' 114.796 3.997 . 0.266 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 0 C5'-C4'-C3' 110.747 -3.169 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 C3'-C2'-C1' 99.406 -2.327 . 0.185 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.556 0 O5'-C5'-C4' 114.705 3.218 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.888 0 C5'-C4'-O4' 113.928 3.377 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 98.933 -3.767 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.09 1 C4'-C3'-C2' 98.693 -4.007 . 0.751 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.269 0 C4'-C3'-C2' 99.355 -3.345 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.244 1 C4'-C3'-C2' 98.206 -4.494 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.862 1 C4'-C3'-C2' 98.55 -4.15 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 99.061 -3.639 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 100.096 -2.604 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C5'-C4'-C3' 109.5 -4.0 . 0.548 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-O4' 114.22 3.586 . 0.248 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C3'-C2'-C1' 96.928 -5.08 . 0.362 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.066 1 C3'-C2'-C1' 97.382 -4.575 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 P-O3'-C3' 124.093 3.66 . 0.708 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.79 0 C4'-C3'-C2' 99.916 -2.784 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 C4'-C3'-C2' 99.206 -3.494 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C4'-C3'-C2' 99.063 -3.637 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.33 0 C5'-C4'-O4' 112.752 2.537 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C4'-C3'-C2' 99.243 -3.457 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 C3'-C2'-C1' 102.881 1.534 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 O5'-C5'-C4' 112.768 1.834 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O5'-C5'-C4' 113.961 2.687 . 0.726 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 P-O3'-C3' 123.011 2.759 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.076 1 C4'-C3'-C2' 96.948 -5.752 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.53 1 C5'-C4'-O4' 115.401 4.429 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 1 C4'-C3'-C2' 98.282 -4.418 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 C4'-C3'-C2' 98.986 -3.714 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 0 C4'-C3'-C2' 100.271 -2.429 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.889 0 C5'-C4'-C3' 112.308 -2.128 . 0.957 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.643 0 P-O3'-C3' 123.013 2.761 . 0.174 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.013 0 C4'-C3'-C2' 99.483 -3.217 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 C4'-C3'-C2' 98.733 -3.967 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 C4'-C3'-C2' 98.44 -4.26 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C4'-C3'-C2' 98.781 -3.919 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.829 -3.871 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.88 1 C4'-C3'-C2' 98.497 -4.203 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.895 0 C4'-C3'-C2' 99.261 -3.439 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.076 0 O4'-C4'-C3' 110.043 3.245 . 0.536 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C5'-C4'-C3' 110.933 -3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 1 C4'-C3'-C2' 98.69 -4.01 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.958 0 C4'-C3'-C2' 98.877 -3.823 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.981 -2.719 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.934 0.397 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.18 123.77 49.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.252 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.16 139.11 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.904 -169.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.8 t -79.07 130.56 35.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.458 170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -112.37 24.61 12.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.944 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.22 154.91 22.2 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.111 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.37 114.77 2.13 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.884 0.373 . . . . 0.0 111.131 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.88 14.95 7.94 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.674 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 52.0 t -84.18 -78.46 0.24 Allowed 'General case' 0 CA--C 1.562 1.427 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.24 13.32 76.69 Favored Glycine 0 CA--C 1.554 2.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.394 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -69.44 143.79 53.48 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.546 0.673 . . . . 0.0 110.644 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.54 138.5 54.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -126.24 156.62 40.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HE2' ' HZ2' ' A' ' 118' ' ' LYS . 73.5 tttt -65.53 -41.16 93.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.126 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HZ2' ' HE2' ' A' ' 117' ' ' LYS . 12.7 mmtp -133.18 146.14 51.25 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.757 0.313 . . . . 0.0 110.707 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -63.22 -28.62 70.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -63.94 -32.7 74.33 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 122.267 -0.271 . . . . 0.0 110.838 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -73.01 -37.39 66.97 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.651 0.263 . . . . 0.0 110.641 172.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.82 -47.11 87.85 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.652 0.263 . . . . 0.0 110.519 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -59.1 -41.53 88.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.723 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.5 t -60.19 -41.23 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -67.3 -44.57 78.89 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.62 0.247 . . . . 0.0 111.133 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.99 -31.72 73.0 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.283 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -28.87 52.41 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.814 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t -68.36 -47.19 68.08 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.412 -0.18 . . . . 0.0 111.22 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.68 -36.34 83.54 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.3 p -81.93 -18.09 44.83 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.94 17.1 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 123.318 0.647 . . . . 0.0 111.849 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.91 155.87 46.02 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.251 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 37.0 mt -95.06 132.52 27.92 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.105 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -78.72 -36.87 0.73 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.509 2.139 . . . . 0.0 113.243 -171.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.538 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.2 m-85 -99.57 91.75 5.04 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.476 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -98.39 143.03 29.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.87 120.21 80.1 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.495 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -92.14 5.8 3.47 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 C-N-CA 122.873 2.382 . . . . 0.0 113.317 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.91 150.62 40.75 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.054 0.454 . . . . 0.0 110.941 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.82 133.83 52.8 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.12 3.35 90.68 Favored Glycine 0 CA--C 1.55 2.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.803 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -120.26 152.86 37.16 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -149.85 16.85 0.88 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.423 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -64.45 149.59 48.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 -135.23 151.35 50.52 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 120.881 0.372 . . . . 0.0 110.476 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -134.08 159.51 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.083 -169.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.6 p -88.05 -15.6 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 -174.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.2 mt -142.34 154.18 63.63 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.71 0.29 . . . . 0.0 111.031 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.5 Cg_endo -65.9 -31.65 46.99 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.57 2.18 . . . . 0.0 112.42 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 p -63.85 -38.26 90.45 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.43 -39.05 71.29 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.2 -46.35 87.42 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.772 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.0 -37.51 82.78 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -69.45 -34.0 73.75 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.483 0.182 . . . . 0.0 110.853 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.8 -37.96 79.61 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.53 0.205 . . . . 0.0 111.135 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -58.59 -31.14 67.75 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.656 0.265 . . . . 0.0 110.895 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.46 -25.71 64.63 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.084 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.74 -42.75 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-O 120.641 0.258 . . . . 0.0 110.512 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -74.9 -29.39 60.97 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.321 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.98 63.5 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.823 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.68 170.41 41.9 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 116.398 -0.365 . . . . 0.0 112.475 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -124.19 94.8 44.73 Favored Pre-proline 0 CA--C 1.538 0.497 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.15 145.42 17.25 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.477 2.118 . . . . 0.0 112.597 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 138.28 46.71 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.019 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.25 12.75 3.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.537 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -67.94 -23.03 65.02 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.088 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.82 145.46 24.97 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.86 -27.22 68.06 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.451 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 88.0 p -93.63 16.37 13.99 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.07 136.61 52.51 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.9 m -134.22 16.08 3.79 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.437 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.8 139.78 58.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.616 0.246 . . . . 0.0 110.799 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.42 123.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.419 170.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.39 139.63 16.17 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 121.234 -0.507 . . . . 0.0 112.057 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -69.45 -17.72 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 122.878 -0.189 . . . . 0.0 111.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.96 161.51 41.75 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 120.908 0.385 . . . . 0.0 110.444 175.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -57.66 -40.2 78.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.429 -174.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.6 p -57.29 -45.45 84.1 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.094 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.278 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -69.08 -48.24 63.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.617 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.97 -41.06 95.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.887 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.4 -41.56 96.59 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.83 -42.45 99.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.8 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 14.5 t -61.87 -45.08 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.017 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.88 74.33 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -89.22 -32.59 17.36 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.882 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.1 m -107.32 -19.72 13.5 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.01 6.23 5.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -139.93 10.72 2.41 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.575 0.226 . . . . 0.0 111.061 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.987 0.423 . . . . 0.0 110.827 178.189 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.064 0 C4'-C3'-C2' 99.603 -3.097 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C4'-C3'-C2' 99.548 -3.152 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C4'-C3'-C2' 99.083 -3.617 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 100.056 -2.644 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.525 0 O3'-P-O5' 109.399 2.842 . 0.306 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.91 1 O4'-C4'-C3' 111.478 4.27 . 0.605 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 1 P-O3'-C3' 124.533 4.027 . 0.58 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C3'-C2'-C1' 97.933 -3.964 . 0.663 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 0 C4'-C3'-C2' 99.067 -3.633 . 0.708 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 0 C4'-C3'-C2' 99.95 -2.75 . 0.93 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 1 C5'-C4'-O4' 115.315 4.368 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.632 0 C5'-C4'-C3' 109.916 -3.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.452 0 C3'-C2'-C1' 99.663 -2.041 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 0 O5'-C5'-C4' 114.541 3.101 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.82 0 C5'-C4'-O4' 114.205 3.575 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 98.832 -3.868 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.987 1 C4'-C3'-C2' 98.13 -4.57 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.42 0 C4'-C3'-C2' 99.149 -3.551 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.208 0 C4'-C3'-C2' 98.919 -3.781 . 0.934 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 1 C4'-C3'-C2' 98.188 -4.512 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 1 C4'-C3'-C2' 98.393 -4.307 . 0.441 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 O5'-C5'-C4' 113.467 2.334 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 1 C5'-C4'-C3' 108.101 -4.933 . 0.822 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C5'-C4'-O4' 112.822 2.587 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.877 2 C3'-C2'-C1' 95.148 -7.058 . 0.644 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.815 0 O4'-C1'-C2' 100.866 -3.953 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 P-O3'-C3' 124.639 4.116 . 0.732 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.721 0 C4'-C3'-C2' 100.076 -2.624 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.247 0 C4'-C3'-C2' 99.247 -3.453 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 98.954 -3.746 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-O4' 112.869 2.621 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C4'-C3'-C2' 99.289 -3.411 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.113 0 C3'-C2'-C1' 102.89 1.545 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 0 O5'-C5'-C4' 112.772 1.837 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O5'-C5'-C4' 113.887 2.633 . 0.728 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 P-O3'-C3' 123.014 2.762 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 1 C4'-C3'-C2' 96.964 -5.736 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.552 1 C5'-C4'-O4' 115.332 4.38 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 C4'-C3'-C2' 98.276 -4.424 . 0.509 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.989 0 O5'-C5'-C4' 114.757 3.255 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.441 -3.259 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C4'-C3'-C2' 100.69 -2.01 . 0.923 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.026 0 O5'-C5'-C4' 114.657 3.183 . 0.188 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.954 0 C4'-C3'-C2' 99.524 -3.176 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.078 -3.622 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 C4'-C3'-C2' 98.743 -3.957 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 C4'-C3'-C2' 98.575 -4.125 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 98.82 -3.88 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.764 1 C4'-C3'-C2' 98.576 -4.124 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.033 0 C4'-C3'-C2' 99.491 -3.209 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 O4'-C4'-C3' 109.741 3.029 . 0.588 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.642 0 C5'-C4'-C3' 111.133 -2.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 98.967 -3.733 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.03 0 C4'-C3'-C2' 99.104 -3.596 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C4'-C3'-C2' 99.858 -2.842 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.07 122.8 48.04 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -109.0 139.07 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.755 -169.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.1 t -78.69 129.38 34.64 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.495 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -111.3 24.77 12.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.88 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.27 154.43 23.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.67 114.74 1.99 Allowed 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 t30 69.78 15.09 8.04 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.712 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.41 -78.82 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.764 0.316 . . . . 0.0 110.945 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.48 13.52 77.49 Favored Glycine 0 CA--C 1.554 2.488 0 CA-C-N 116.316 -0.402 . . . . 0.0 113.43 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -70.58 143.87 51.41 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.448 0.624 . . . . 0.0 110.638 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.0 54.58 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -126.26 156.51 40.22 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.259 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -63.83 -41.23 97.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.305 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -134.68 148.52 50.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.735 -171.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -64.56 -28.9 69.95 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.642 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -65.24 -33.85 76.97 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 122.342 -0.224 . . . . 0.0 110.835 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.05 -35.55 66.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.0 tp -61.68 -47.1 86.88 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 120.682 0.277 . . . . 0.0 110.484 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -56.9 -41.93 79.01 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.738 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.6 t -59.14 -41.22 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 120.738 0.304 . . . . 0.0 111.054 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -68.3 -45.05 74.06 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.574 0.225 . . . . 0.0 111.246 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.86 -31.74 73.11 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.332 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.89 53.48 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.811 175.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -67.92 -47.14 69.57 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 122.441 -0.162 . . . . 0.0 111.242 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -63.98 -36.33 83.63 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.6 p -81.85 -18.31 44.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.043 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.79 32.32 17.32 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.338 0.655 . . . . 0.0 111.891 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.3 155.82 45.68 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 169.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -95.71 132.42 27.36 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 120.686 0.279 . . . . 0.0 111.079 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.97 -37.06 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 113.222 -171.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.536 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 85.4 m-85 -98.94 92.71 5.65 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.514 -170.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -98.8 142.99 29.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.9 t -73.81 121.06 84.25 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.379 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.96 4.86 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.889 2.393 . . . . 0.0 113.167 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.1 151.3 47.18 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.162 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.26 128.65 36.7 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.0 90.33 Favored Glycine 0 CA--C 1.548 2.103 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.713 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -115.12 153.05 31.48 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 120.82 0.343 . . . . 0.0 110.713 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.28 19.36 0.75 Allowed 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.52 143.24 57.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.726 0.298 . . . . 0.0 110.269 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -134.17 150.76 51.11 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.07 157.57 45.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.087 -169.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -84.58 -18.11 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.539 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 20.4 mt -140.98 154.41 68.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.536 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.0 Cg_endo -66.73 -29.73 42.43 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.608 2.205 . . . . 0.0 112.287 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.3 p -66.89 -37.74 84.96 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -70.6 -38.2 73.96 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.883 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.23 -43.77 93.93 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.681 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -39.98 78.37 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.879 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -42.03 90.38 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.809 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.41 -37.06 82.1 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.522 0.201 . . . . 0.0 111.346 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 -31.25 68.08 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.608 0.242 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.61 -25.82 64.96 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.145 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.8 -43.32 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.587 0.232 . . . . 0.0 110.652 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -77.01 -30.55 55.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.288 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.04 64.94 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 120.654 0.264 . . . . 0.0 110.812 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.11 173.33 48.63 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.55 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.18 94.85 44.68 Favored Pre-proline 0 C--O 1.236 0.391 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.48 141.59 15.9 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.338 2.025 . . . . 0.0 112.34 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.89 140.67 53.18 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -142.48 12.38 1.93 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.417 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.71 -23.31 65.27 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -148.19 144.28 27.62 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.834 0.349 . . . . 0.0 110.684 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.28 -27.87 68.94 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.479 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -96.25 17.29 16.13 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.291 -177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 159.11 15.1 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.7 p -151.67 4.81 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -64.86 141.14 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.699 0.285 . . . . 0.0 111.062 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.7 t -128.25 122.66 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.266 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.91 133.24 11.65 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.027 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -66.99 -15.57 63.81 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 122.779 -0.248 . . . . 0.0 111.182 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.4 160.9 43.04 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.405 175.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -58.0 -39.26 77.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.8 p -57.09 -47.39 81.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.159 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.0 -34.9 77.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.373 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -69.29 -48.12 62.55 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.542 0.211 . . . . 0.0 110.594 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 47.1 mt -59.93 -41.63 92.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.45 -42.4 95.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -61.95 -42.11 98.74 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.703 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.0 t -61.72 -44.9 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.078 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 120.675 0.274 . . . . 0.0 111.154 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.28 -28.27 20.0 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.99 -19.94 12.16 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -169.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -134.43 11.53 3.79 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -143.9 175.1 10.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.732 0.301 . . . . 0.0 110.63 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.484 1.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 -179.409 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.915 0 C4'-C3'-C2' 99.145 -3.555 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.494 -3.206 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.857 -3.843 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.691 -3.009 . 0.956 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.338 1 O5'-C5'-C4' 115.901 4.072 . 0.334 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.511 1 O5'-C5'-C4' 116.212 4.294 . 0.7 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 P-O3'-C3' 123.121 2.851 . 0.585 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 1 C3'-C2'-C1' 97.424 -4.529 . 0.684 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.922 0 C4'-C3'-C2' 99.349 -3.351 . 0.685 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.959 0 C4'-C3'-C2' 99.873 -2.827 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 1 C5'-C4'-O4' 115.168 4.263 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 0 C5'-C4'-C3' 109.93 -3.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.48 0 C3'-C2'-C1' 99.938 -1.736 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 0 C5'-C4'-C3' 110.373 -3.418 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.916 0 C5'-C4'-C3' 109.96 -3.693 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C4'-C3'-C2' 98.947 -3.753 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 C4'-C3'-C2' 98.621 -4.079 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.393 0 C4'-C3'-C2' 100.011 -2.689 . 0.924 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 1 C5'-C4'-O4' 115.015 4.154 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.744 0 C4'-C3'-C2' 98.854 -3.846 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.943 0 C4'-C3'-C2' 99.013 -3.687 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 0 C4'-C3'-C2' 100.373 -2.327 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 C5'-C4'-C3' 109.499 -4.001 . 0.711 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C5'-C4'-O4' 114.265 3.618 . 0.336 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 2 C3'-C2'-C1' 95.543 -6.618 . 0.399 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.887 0 C4'-C3'-C2' 99.115 -3.585 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 P-O3'-C3' 124.389 3.907 . 0.729 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.744 0 P-O3'-C3' 122.826 2.605 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.231 0 C4'-C3'-C2' 99.335 -3.365 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 99.059 -3.641 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 0 C5'-C4'-O4' 112.795 2.568 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 C4'-C3'-C2' 99.277 -3.423 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 0 C3'-C2'-C1' 102.878 1.531 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.575 0 O5'-C5'-C4' 112.719 1.799 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O5'-C5'-C4' 113.979 2.699 . 0.729 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 P-O3'-C3' 123.076 2.813 . 0.359 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.988 1 C4'-C3'-C2' 96.896 -5.804 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.4 1 C5'-C4'-O4' 115.323 4.373 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 1 C4'-C3'-C2' 98.304 -4.396 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 C4'-C3'-C2' 99.103 -3.597 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 0 C4'-C3'-C2' 99.561 -3.139 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C4'-C3'-C2' 100.982 -1.718 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.874 0 P-O3'-C3' 123.281 2.984 . 0.187 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 C4'-C3'-C2' 99.575 -3.125 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 98.921 -3.779 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C4'-C3'-C2' 98.77 -3.93 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 C4'-C3'-C2' 98.842 -3.858 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.894 -3.806 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.822 1 C4'-C3'-C2' 98.61 -4.09 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 C4'-C3'-C2' 99.586 -3.114 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C5'-C4'-C3' 112.055 -2.297 . 0.806 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C5'-C4'-C3' 111.202 -2.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 1 C4'-C3'-C2' 98.69 -4.01 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.973 0 C4'-C3'-C2' 98.952 -3.748 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 99.989 -2.711 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -109.13 122.17 46.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.84 139.08 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.833 -169.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.2 t -78.86 129.74 34.9 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.452 171.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -111.58 24.24 12.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.26 154.44 23.62 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.133 170.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.88 114.75 2.03 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 -172.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 69.85 15.13 7.96 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.676 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.3 -78.56 0.23 Allowed 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.667 0.27 . . . . 0.0 110.999 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.38 13.84 77.16 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.389 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -69.48 144.05 53.34 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.538 0.669 . . . . 0.0 110.669 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 138.37 54.37 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 -174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -126.28 158.49 35.62 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.198 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.54 ' HG3' ' HZ2' ' A' ' 118' ' ' LYS . 1.3 ptmt -76.82 -30.53 56.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.914 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.54 ' HZ2' ' HG3' ' A' ' 117' ' ' LYS . 27.0 mmtm -129.24 148.09 51.14 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -65.26 -28.73 69.55 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.507 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -64.18 -32.11 73.57 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 122.286 -0.259 . . . . 0.0 110.963 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.23 -37.1 69.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.67 0.271 . . . . 0.0 110.676 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -62.02 -47.2 85.82 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.64 -40.16 86.74 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.622 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.7 t -61.29 -41.19 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -67.62 -44.35 78.21 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.075 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.78 -31.69 73.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.306 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.77 54.28 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 116.845 -0.161 . . . . 0.0 110.857 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.74 -46.84 67.83 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 122.389 -0.194 . . . . 0.0 111.182 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.81 -36.26 83.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.729 0.299 . . . . 0.0 110.999 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 80.0 p -82.29 -18.75 41.22 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.01 33.0 19.3 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.244 0.618 . . . . 0.0 111.899 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -131.08 155.8 46.3 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.5 132.28 29.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.096 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -78.42 -36.46 0.93 Allowed 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.565 2.177 . . . . 0.0 113.233 -171.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.5 m-85 -100.23 92.75 5.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.936 0.398 . . . . 0.0 110.43 -169.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -95.15 143.01 26.92 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.548 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.83 121.04 84.22 Favored Pre-proline 0 CA--C 1.564 1.481 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.348 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -89.88 4.5 4.85 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 122.906 2.404 . . . . 0.0 113.251 -171.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.43 144.1 57.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.41 111.29 3.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.58 -3.94 42.97 Favored Glycine 0 CA--C 1.544 1.878 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.602 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.46 155.51 19.5 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.851 0.358 . . . . 0.0 110.627 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -146.06 13.24 1.28 Allowed 'General case' 0 CA--C 1.557 1.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.2 145.59 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -134.29 152.26 51.72 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.335 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.02 156.12 48.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.225 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.8 p -87.34 -15.68 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.576 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.3 mt -141.87 154.59 65.66 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.875 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.1 Cg_endo -66.29 -32.84 40.84 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.531 2.154 . . . . 0.0 112.384 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.1 p -62.57 -37.63 86.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.732 0.301 . . . . 0.0 111.043 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.35 -39.26 71.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.887 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.04 -45.88 86.89 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.757 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.69 -36.51 74.33 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.111 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -73.11 -35.42 66.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.855 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -66.03 -35.2 79.91 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.585 0.231 . . . . 0.0 111.172 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.61 -31.19 67.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.55 0.214 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -59.61 -25.7 64.85 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.177 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.5 t -61.77 -43.22 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 120.663 0.268 . . . . 0.0 110.522 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.18 -28.25 57.24 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.227 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.28 63.13 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-O 120.636 0.255 . . . . 0.0 110.853 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.07 171.46 44.47 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.398 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -124.16 94.8 44.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.47 145.55 14.89 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.481 2.12 . . . . 0.0 112.596 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.6 t -74.67 141.02 44.6 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.17 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -142.23 13.51 2.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.319 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.18 -23.13 65.73 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.031 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -150.61 145.89 26.18 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.33 -27.92 68.94 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.446 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.1 p -93.58 16.35 13.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.386 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -113.83 136.74 52.53 Favored 'General case' 0 CA--C 1.55 0.942 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.248 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -136.08 17.02 3.23 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.425 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.41 140.35 58.56 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.655 0.264 . . . . 0.0 110.864 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 123.34 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 170.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.7 137.93 15.25 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.201 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -22.48 66.36 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 122.888 -0.184 . . . . 0.0 111.057 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.78 162.14 39.82 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -57.72 -40.09 78.79 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.379 -174.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 p -56.97 -48.02 79.38 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.469 0.176 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.9 -35.63 78.92 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.183 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -68.24 -48.12 65.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.626 0.251 . . . . 0.0 110.655 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -39.58 89.17 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.03 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -63.95 -43.59 95.38 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.835 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -61.95 -42.88 99.61 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.704 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.75 -45.07 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.997 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.64 74.07 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.988 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -89.25 -27.12 20.81 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.95 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 96.1 m -114.9 -19.78 10.83 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -136.83 11.93 3.14 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -149.45 14.37 0.86 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.685 0.278 . . . . 0.0 111.261 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 121.032 0.444 . . . . 0.0 111.023 178.711 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.222 -3.478 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.661 -3.039 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 C4'-C3'-C2' 98.607 -4.093 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.865 -2.835 . 0.935 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 1 O5'-C5'-C4' 116.055 4.182 . 0.344 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.748 1 O4'-C4'-C3' 111.135 4.025 . 0.606 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 P-O3'-C3' 124.436 3.947 . 0.58 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 C3'-C2'-C1' 97.539 -4.401 . 0.666 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.004 -3.696 . 0.713 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 0 C4'-C3'-C2' 99.705 -2.995 . 0.922 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 1 C5'-C4'-O4' 114.943 4.102 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.923 0 C5'-C4'-C3' 110.741 -3.173 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.497 0 C3'-C2'-C1' 99.305 -2.439 . 0.175 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 O5'-C5'-C4' 114.73 3.235 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.872 0 C5'-C4'-O4' 114.264 3.617 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 98.723 -3.977 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C4'-C3'-C2' 98.271 -4.429 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.292 0 C4'-C3'-C2' 99.155 -3.545 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.184 0 C4'-C3'-C2' 99.321 -3.379 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 C4'-C3'-C2' 98.377 -4.323 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 1 C4'-C3'-C2' 98.248 -4.452 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C5'-C4'-O4' 112.657 2.469 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 1 C5'-C4'-C3' 108.266 -4.823 . 0.792 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C5'-C4'-O4' 112.866 2.619 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.445 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 1.854 1 C3'-C2'-C1' 97.7 -4.222 . 0.634 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.494 3 C5'-C4'-O4' 116.015 4.868 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 P-O3'-C3' 124.04 3.617 . 0.728 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.761 0 C4'-C3'-C2' 99.773 -2.927 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.186 0 C4'-C3'-C2' 99.16 -3.54 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 C4'-C3'-C2' 98.972 -3.728 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.215 0 C5'-C4'-O4' 112.779 2.556 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.26 -3.44 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.139 0 C3'-C2'-C1' 102.916 1.573 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.617 0 O5'-C5'-C4' 112.72 1.8 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 O5'-C5'-C4' 114.012 2.723 . 0.728 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 P-O3'-C3' 123.005 2.754 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 1 C4'-C3'-C2' 96.958 -5.742 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.436 1 C5'-C4'-O4' 115.402 4.43 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 C4'-C3'-C2' 98.232 -4.468 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.828 0 C4'-C3'-C2' 99.043 -3.657 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.183 0 C4'-C3'-C2' 99.549 -3.151 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.962 0 C4'-C3'-C2' 100.748 -1.952 . 0.943 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.148 0 O5'-C5'-C4' 114.423 3.017 . 0.162 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.957 0 C4'-C3'-C2' 99.598 -3.102 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 98.951 -3.749 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C4'-C3'-C2' 98.792 -3.908 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 1 C4'-C3'-C2' 98.62 -4.08 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.941 0 C4'-C3'-C2' 98.938 -3.762 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.82 1 C4'-C3'-C2' 98.682 -4.018 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 C4'-C3'-C2' 99.45 -3.25 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 0 O4'-C4'-C3' 109.662 2.973 . 0.62 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.719 0 C5'-C4'-C3' 111.086 -2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.089 -3.611 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.996 0 C4'-C3'-C2' 99.087 -3.613 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 C4'-C3'-C2' 99.887 -2.813 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 120.877 0.37 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -109.11 119.57 39.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.1 t -111.31 139.19 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.833 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.23 128.4 33.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.439 171.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -110.53 24.29 13.16 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.994 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.43 153.77 26.15 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.5 114.78 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.784 0.326 . . . . 0.0 111.247 -172.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.78 15.14 8.02 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.748 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -84.95 -78.39 0.25 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 120.755 0.312 . . . . 0.0 111.027 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.83 15.2 73.63 Favored Glycine 0 CA--C 1.551 2.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.432 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -69.6 142.71 53.48 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 117.462 0.631 . . . . 0.0 110.472 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.92 54.83 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 -173.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -126.26 157.04 39.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.992 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -72.31 -32.07 66.25 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.589 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 55.4 mttp -137.78 154.02 49.62 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.074 0.464 . . . . 0.0 111.773 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -67.55 -28.69 68.01 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.703 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.97 -36.08 82.78 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 122.318 -0.239 . . . . 0.0 110.716 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.8 -37.74 70.36 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.686 0.279 . . . . 0.0 110.549 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.66 -47.27 86.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.75 0.31 . . . . 0.0 110.704 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -62.52 -38.47 90.1 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.87 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.91 -41.21 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -68.46 -44.93 73.78 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.159 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.12 -31.69 72.98 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.395 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.93 53.46 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.757 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.3 t -67.69 -46.93 70.87 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 122.431 -0.168 . . . . 0.0 111.265 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.26 -36.26 83.51 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.835 0.35 . . . . 0.0 111.058 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -81.83 -17.84 46.06 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.01 32.73 16.05 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.283 0.633 . . . . 0.0 111.838 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -131.19 155.47 46.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.223 169.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -94.87 133.72 26.05 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.072 -169.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -79.93 -38.15 0.38 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.561 2.174 . . . . 0.0 113.256 -171.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.0 m-85 -95.24 92.24 6.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.509 -170.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.44 141.78 28.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 33.8 t -73.92 120.48 81.47 Favored Pre-proline 0 CA--C 1.565 1.543 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.454 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.17 5.72 4.81 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.836 2.357 . . . . 0.0 113.349 -171.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.27 142.38 58.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.41 103.4 1.63 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 113.31 -1.33 25.21 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -110.34 158.23 18.66 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.827 0.346 . . . . 0.0 110.614 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.05 11.71 0.94 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.668 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -66.52 148.76 51.43 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 120.817 0.341 . . . . 0.0 110.687 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -135.28 154.0 51.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -134.12 160.18 38.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.951 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.0 p -83.27 -26.95 30.22 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.511 -175.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -136.52 155.62 76.85 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 122.381 0.272 . . . . 0.0 110.423 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.1 Cg_endo -64.64 -25.01 62.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.637 2.225 . . . . 0.0 112.563 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.1 p -65.02 -43.71 91.58 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -70.1 -36.12 74.64 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.99 -43.98 94.05 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.509 0.195 . . . . 0.0 110.775 173.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -64.58 -35.45 81.01 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.803 -0.181 . . . . 0.0 111.111 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.83 -40.37 91.73 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.562 0.22 . . . . 0.0 110.594 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.84 -39.08 90.45 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.077 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.81 -31.41 68.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.549 0.214 . . . . 0.0 110.982 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.72 -25.91 65.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.03 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.76 -43.5 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 120.721 0.296 . . . . 0.0 110.53 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -77.12 -28.58 54.39 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.22 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.66 63.26 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.665 0.269 . . . . 0.0 110.841 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.23 168.87 44.66 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.385 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -124.06 94.79 44.98 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.59 145.83 16.63 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.546 2.164 . . . . 0.0 112.522 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -74.06 138.64 44.13 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.017 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -137.35 12.71 3.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.418 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -68.35 -21.88 64.71 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.106 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.68 141.67 23.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.835 0.35 . . . . 0.0 110.679 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.33 -22.59 66.28 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.618 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 72.4 m -100.34 19.42 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.207 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.33 163.08 13.23 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 171.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.53 5.75 0.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.68 138.01 57.11 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.757 0.313 . . . . 0.0 111.104 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.38 122.04 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.236 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.58 139.01 16.91 Favored Glycine 0 N--CA 1.473 1.155 0 C-N-CA 121.367 -0.444 . . . . 0.0 112.103 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -69.62 -18.33 63.59 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 120.578 0.227 . . . . 0.0 111.068 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.83 160.2 43.01 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.7 t-105 -57.97 -38.9 76.89 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.365 -174.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.2 p -57.62 -46.37 84.2 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.14 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.17 -35.3 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.28 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -69.43 -48.28 61.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 110.589 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.4 mt -60.2 -40.76 91.19 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.764 0.316 . . . . 0.0 110.814 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -64.74 -41.68 95.75 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.91 -42.61 99.29 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.824 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.64 -45.03 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.02 73.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.704 0.288 . . . . 0.0 111.153 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.24 -43.99 10.59 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.652 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 93.3 m -92.54 -20.52 20.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -169.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -130.19 0.66 4.66 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 47.51 45.74 17.47 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 121.017 0.437 . . . . 0.0 111.031 -177.268 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.214 0 C4'-C3'-C2' 99.253 -3.447 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C4'-C3'-C2' 99.379 -3.321 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 C4'-C3'-C2' 99.244 -3.456 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C3'-C2'-C1' 103.795 2.55 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -2.655 0 O3'-P-O5' 109.826 3.066 . 0.269 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 O5'-C5'-C4' 115.792 3.994 . 0.557 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 P-O3'-C3' 124.338 3.865 . 0.583 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 1 C3'-C2'-C1' 97.445 -4.506 . 0.656 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.203 -3.497 . 0.705 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.898 0 C4'-C3'-C2' 99.628 -3.072 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 1 C5'-C4'-O4' 115.402 4.43 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 C5'-C4'-C3' 110.191 -3.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.443 0 C3'-C2'-C1' 99.672 -2.032 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.408 0 O5'-C5'-C4' 114.575 3.125 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.901 0 C5'-C4'-O4' 114.202 3.573 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 C4'-C3'-C2' 98.837 -3.863 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 C4'-C3'-C2' 98.389 -4.311 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.399 0 C4'-C3'-C2' 99.251 -3.449 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 0 C4'-C3'-C2' 98.838 -3.862 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 C4'-C3'-C2' 98.736 -3.964 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 1 C4'-C3'-C2' 98.496 -4.204 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C5'-C4'-O4' 112.558 2.398 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 1 C5'-C4'-C3' 108.67 -4.553 . 0.774 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C5'-C4'-O4' 112.776 2.554 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.589 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 1.954 1 C3'-C2'-C1' 96.762 -5.264 . 0.625 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.561 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.543 2.551 2 O4'-C1'-C2' 99.867 -4.666 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 P-O3'-C3' 124.114 3.679 . 0.736 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.746 0 C4'-C3'-C2' 99.98 -2.72 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.147 -3.553 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.978 0 C4'-C3'-C2' 99.066 -3.634 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.142 0 C5'-C4'-O4' 112.802 2.573 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.366 -3.334 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.07 0 C4'-C3'-O3' 114.635 1.552 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.543 0 C3'-C2'-C1' 99.658 -2.047 . 0.067 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.773 2.552 . 0.731 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 P-O3'-C3' 123.177 2.898 . 0.364 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 1 C4'-C3'-C2' 96.908 -5.792 . 0.242 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.429 1 C5'-C4'-O4' 115.321 4.372 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 1 C4'-C3'-C2' 98.336 -4.364 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.815 0 O5'-C5'-C4' 115.088 3.491 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 C4'-C3'-C2' 99.348 -3.352 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 100.762 -1.938 . 0.921 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.099 0 O5'-C5'-C4' 114.456 3.04 . 0.172 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 0 C4'-C3'-C2' 99.557 -3.143 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 C4'-C3'-C2' 99.007 -3.693 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C4'-C3'-C2' 98.81 -3.89 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 98.775 -3.925 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C4'-C3'-C2' 98.97 -3.73 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.75 1 C4'-C3'-C2' 98.524 -4.176 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 C4'-C3'-C2' 99.34 -3.36 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 0 O4'-C4'-C3' 109.723 3.017 . 0.571 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 C5'-C4'-C3' 110.485 -3.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.029 0 C4'-C3'-C2' 99.104 -3.596 . 0.928 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 98.973 -3.727 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 100.21 -2.49 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 120.823 0.344 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.13 124.16 50.36 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.444 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.0 t -110.49 139.09 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.726 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.7 t -79.5 128.52 33.47 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.454 171.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -110.89 24.94 12.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.874 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.3 154.35 24.02 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -55.44 114.63 1.9 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.881 0.372 . . . . 0.0 111.186 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.83 14.95 7.99 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.612 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.25 -79.82 0.22 Allowed 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 120.746 0.307 . . . . 0.0 110.968 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.32 15.65 77.06 Favored Glycine 0 CA--C 1.555 2.541 0 CA-C-N 116.327 -0.397 . . . . 0.0 113.423 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -70.96 143.29 50.91 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 117.356 0.578 . . . . 0.0 110.633 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.12 138.04 54.38 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -126.09 160.03 31.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -64.27 -42.08 96.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.153 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 35.9 mttp -143.09 155.86 44.69 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.867 -170.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -64.44 -28.86 69.96 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.755 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.58 -32.38 73.69 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 122.437 -0.164 . . . . 0.0 110.86 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -73.1 -37.7 66.63 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.693 0.282 . . . . 0.0 110.744 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.0 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.744 0.307 . . . . 0.0 110.435 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.61 -39.2 87.32 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.896 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 t -58.96 -41.26 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -69.9 -45.08 68.38 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.215 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.15 -31.82 73.2 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.351 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.78 53.28 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.992 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.55 -46.49 69.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.186 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.25 -36.28 83.58 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.971 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.3 p -82.77 -19.3 38.08 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.5 31.13 18.37 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.264 0.626 . . . . 0.0 112.022 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.89 156.52 44.26 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.389 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.37 131.73 29.17 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 120.73 0.3 . . . . 0.0 111.028 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -78.97 -37.5 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.473 2.115 . . . . 0.0 113.211 -170.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.93 95.04 7.56 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.618 -170.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.88 143.07 28.87 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.857 0.361 . . . . 0.0 110.828 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.66 121.57 85.55 Favored Pre-proline 0 CA--C 1.565 1.526 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.557 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -91.9 4.64 3.8 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 122.882 2.388 . . . . 0.0 113.313 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -69.99 150.38 46.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.127 0.489 . . . . 0.0 110.966 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.65 129.91 42.08 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.977 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.03 4.87 89.74 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.764 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -119.11 154.44 33.23 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.9 18.36 0.68 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.03 145.98 54.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.391 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -134.0 149.19 51.2 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 57.5 m-85 -134.04 161.4 34.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.177 -169.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 p -82.95 -29.55 28.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.622 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.25 155.23 80.29 Favored Pre-proline 0 N--CA 1.479 1.018 0 CA-C-O 120.649 0.261 . . . . 0.0 110.798 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 19.8 Cg_endo -65.93 -34.8 37.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.466 2.111 . . . . 0.0 112.146 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -33.12 74.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.081 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.15 -36.69 66.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.033 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.66 -45.38 83.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.618 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -54.83 -40.87 70.03 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.56 -40.63 84.91 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.893 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 75.4 t60 -61.07 -34.04 74.28 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.523 0.201 . . . . 0.0 111.343 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.45 -30.06 66.64 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 122.291 -0.256 . . . . 0.0 110.76 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -59.43 -25.65 64.52 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.109 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.7 t -61.73 -40.83 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 120.61 0.243 . . . . 0.0 110.602 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -77.06 -32.21 56.67 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.19 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.03 63.52 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 120.635 0.255 . . . . 0.0 111.079 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.32 173.21 46.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 116.475 -0.329 . . . . 0.0 112.564 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -124.11 94.74 44.97 Favored Pre-proline 0 C--O 1.236 0.362 0 C-N-CA 122.526 0.33 . . . . 0.0 110.134 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.35 140.95 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.207 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.23 142.28 52.39 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.084 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -143.5 12.11 1.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.586 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -68.1 -22.39 64.91 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -146.98 142.26 27.33 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.811 0.339 . . . . 0.0 110.473 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -65.15 -24.25 67.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.594 -174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.9 m -102.78 19.35 19.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.167 0.187 . . . . 0.0 111.273 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.0 158.96 15.38 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 171.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -149.44 2.65 0.55 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.65 139.92 58.81 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.768 0.318 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 121.36 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.52 134.61 12.83 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.1 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -66.93 -17.55 64.96 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 122.829 -0.218 . . . . 0.0 111.135 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.39 163.29 38.73 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.845 0.355 . . . . 0.0 110.596 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 25.8 t-105 -58.34 -41.06 83.78 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.408 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.3 p -57.39 -46.85 83.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.389 0.138 . . . . 0.0 111.028 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.06 -34.56 76.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.311 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.94 -48.07 59.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.54 0.209 . . . . 0.0 110.644 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.78 -41.48 91.23 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.85 0.357 . . . . 0.0 111.052 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.92 -43.33 96.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -62.03 -42.53 99.27 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.776 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.8 t -62.09 -45.03 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.135 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.35 72.51 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.36 -28.47 19.78 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.044 -175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.9 m -113.89 -19.16 11.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -134.63 12.28 3.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -143.2 173.1 11.88 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 120.768 0.318 . . . . 0.0 110.623 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.994 0.426 . . . . 0.0 110.862 -179.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 0 C4'-C3'-C2' 99.828 -2.872 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 99.208 -3.492 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 1 C4'-C3'-C2' 98.61 -4.09 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.594 -3.106 . 0.943 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O5'-C5'-C4' 115.801 4.0 . 0.342 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 O5'-C5'-C4' 115.407 3.719 . 0.663 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 P-O3'-C3' 124.153 3.711 . 0.562 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 1 C3'-C2'-C1' 97.311 -4.654 . 0.67 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.307 -3.393 . 0.678 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 C4'-C3'-C2' 99.686 -3.014 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 1 C5'-C4'-O4' 115.1 4.214 . 0.259 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 C5'-C4'-C3' 110.162 -3.559 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C3'-C2'-C1' 99.761 -1.932 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.516 0 O5'-C5'-C4' 114.721 3.229 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.875 0 C5'-C4'-O4' 113.987 3.419 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 C4'-C3'-C2' 98.774 -3.926 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 1 C4'-C3'-C2' 98.608 -4.092 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 1 C4'-C3'-C2' 98.64 -4.06 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.166 1 C4'-C3'-C2' 98.075 -4.625 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.856 1 C4'-C3'-C2' 98.699 -4.001 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.955 0 C4'-C3'-C2' 99.27 -3.43 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C4'-C3'-C2' 99.881 -2.819 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C5'-C4'-C3' 109.518 -3.988 . 0.573 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C5'-C4'-O4' 114.641 3.886 . 0.265 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.583 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.539 2.199 1 C3'-C2'-C1' 97.262 -4.709 . 0.354 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.548 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.545 2.727 2 C3'-C2'-C1' 97.316 -4.649 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 P-O3'-C3' 123.87 3.475 . 0.716 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.681 0 C4'-C3'-C2' 100.049 -2.651 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.252 0 C4'-C3'-C2' 99.292 -3.408 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.943 0 C4'-C3'-C2' 99.069 -3.631 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.243 0 C5'-C4'-O4' 112.777 2.555 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.262 -3.438 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.035 0 C3'-C2'-C1' 102.866 1.518 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.545 0 O5'-C5'-C4' 112.75 1.822 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 O5'-C5'-C4' 113.925 2.661 . 0.726 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 P-O3'-C3' 123.098 2.832 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 C4'-C3'-C2' 96.892 -5.808 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.414 1 C5'-C4'-O4' 115.427 4.448 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 1 C4'-C3'-C2' 98.197 -4.503 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.852 0 C4'-C3'-C2' 98.961 -3.739 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.285 0 C4'-C3'-C2' 100.293 -2.407 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C5'-C4'-C3' 112.398 -2.068 . 0.958 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.703 0 P-O3'-C3' 123.074 2.811 . 0.19 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C4'-C3'-C2' 99.258 -3.442 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C4'-C3'-C2' 98.759 -3.941 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 1 C4'-C3'-C2' 98.37 -4.33 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 C4'-C3'-C2' 98.719 -3.981 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.915 -3.785 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.869 1 C4'-C3'-C2' 98.486 -4.214 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 C4'-C3'-C2' 99.526 -3.174 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.163 0 O4'-C4'-C3' 110.009 3.221 . 0.551 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.569 0 C5'-C4'-C3' 110.508 -3.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 1 C4'-C3'-C2' 98.69 -4.01 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.949 0 C4'-C3'-C2' 98.926 -3.774 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.897 -2.803 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.819 0.342 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -109.13 122.29 46.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.465 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -109.93 139.14 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.73 -169.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.6 t -78.45 129.06 34.47 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.463 171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -111.32 24.57 12.68 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.24 154.53 23.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.165 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.77 114.76 2.02 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 -172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.6 t30 69.77 15.11 8.04 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.04 -78.41 0.25 Allowed 'General case' 0 CA--C 1.564 1.491 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.9 13.78 75.68 Favored Glycine 0 CA--C 1.554 2.474 0 CA-C-N 116.323 -0.398 . . . . 0.0 113.435 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -69.7 143.33 53.15 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 117.49 0.645 . . . . 0.0 110.626 178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.79 137.51 54.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.932 0.396 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -126.15 156.77 39.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.198 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.18 -45.33 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.989 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.486 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 11.7 mttp -137.44 153.93 50.03 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.007 -170.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.2 -28.66 69.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.596 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -64.01 -35.82 81.98 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 122.378 -0.201 . . . . 0.0 110.963 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -72.63 -36.09 67.95 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.651 0.263 . . . . 0.0 110.73 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.18 -47.03 88.04 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 120.614 0.245 . . . . 0.0 110.554 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.21 -43.45 82.8 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.677 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.3 -41.07 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 0.0 110.968 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -69.42 -45.03 70.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.221 -178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.63 -31.74 72.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.85 54.55 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.449 0.166 . . . . 0.0 110.882 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -68.33 -46.61 69.73 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 122.379 -0.201 . . . . 0.0 111.21 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.22 -36.4 83.95 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.089 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -82.55 -19.28 38.91 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.24 31.5 18.55 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.292 0.637 . . . . 0.0 111.941 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.53 156.27 44.44 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.5 mt -95.66 132.05 28.18 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.148 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -78.99 -37.29 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.515 2.143 . . . . 0.0 113.211 -171.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -97.74 94.22 6.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -98.97 141.58 31.55 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.99 119.88 78.45 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.504 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -92.01 5.63 3.56 Favored 'Trans proline' 0 CA--C 1.552 1.377 0 C-N-CA 122.82 2.346 . . . . 0.0 113.268 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -71.73 148.88 45.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.985 0.421 . . . . 0.0 111.0 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.31 128.34 35.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.88 2.13 81.65 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.724 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.0 t -120.69 152.9 37.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 120.99 0.424 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -148.93 17.05 0.97 Allowed 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 149.72 49.98 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.641 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -135.04 150.39 50.29 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.11 163.6 29.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.055 -169.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 p -88.23 -20.9 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.696 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 16.8 mt -138.63 153.97 72.81 Favored Pre-proline 0 N--CA 1.473 0.692 0 CA-C-O 120.699 0.285 . . . . 0.0 111.014 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.6 Cg_endo -67.54 -33.59 28.35 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.521 2.148 . . . . 0.0 112.264 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.7 p -63.4 -37.95 89.26 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.987 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -42.57 74.83 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.16 -46.74 85.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.647 0.261 . . . . 0.0 110.823 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -59.13 -35.84 74.16 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.25 -32.86 64.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.983 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.32 -38.1 89.14 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.643 0.259 . . . . 0.0 111.05 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.77 -31.28 68.23 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.64 0.257 . . . . 0.0 110.931 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -59.76 -25.81 65.18 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.67 -42.88 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.834 0.349 . . . . 0.0 110.43 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -74.99 -28.8 60.69 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.35 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.91 62.62 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.643 0.259 . . . . 0.0 110.814 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 170.65 46.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.382 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.07 94.72 45.06 Favored Pre-proline 0 C--O 1.237 0.434 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.18 146.32 14.12 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.506 2.137 . . . . 0.0 112.63 -171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -75.33 140.82 43.32 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.149 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -142.61 13.52 1.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.381 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.65 -23.7 66.19 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.12 142.55 26.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.508 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.15 -21.09 64.03 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.639 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.3 m -98.19 18.2 16.81 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 120.498 0.19 . . . . 0.0 111.168 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.33 160.56 14.19 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.9 t -153.29 8.34 0.4 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -65.38 138.64 58.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.31 124.08 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.27 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.41 139.84 15.78 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.116 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.0 -19.77 64.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.518 0.199 . . . . 0.0 111.036 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.0 161.31 41.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.454 176.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -57.95 -39.0 77.01 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.39 -47.02 82.78 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.457 0.17 . . . . 0.0 111.07 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.93 -35.55 78.74 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.168 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -68.89 -48.21 63.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.62 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.62 -39.58 84.71 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -63.98 -43.99 94.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -61.88 -42.61 99.26 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 120.679 0.276 . . . . 0.0 110.774 176.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.87 -45.02 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.1 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.51 73.6 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.658 0.266 . . . . 0.0 111.114 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -89.25 -31.0 18.09 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.9 m -110.31 -20.15 12.73 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -169.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -136.59 19.24 3.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -153.72 179.31 8.96 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.858 0.361 . . . . 0.0 110.808 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 22.4 t0 . . . . . 0 N--CA 1.476 0.843 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.36 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.091 0 C4'-C3'-C2' 99.761 -2.939 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 C4'-C3'-C2' 99.439 -3.261 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 1 C4'-C3'-C2' 98.581 -4.119 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C4'-C3'-C2' 99.409 -3.291 . 0.966 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -2.487 0 C4'-C3'-O3' 102.997 -2.924 . 0.384 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.297 1 O4'-C4'-C3' 111.409 4.22 . 0.588 4a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C4'-C3'-C2' 99.117 -3.583 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 C3'-C2'-C1' 97.739 -4.179 . 0.661 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.081 -3.619 . 0.711 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.067 0 C4'-C3'-C2' 99.654 -3.046 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 1 C5'-C4'-O4' 115.335 4.382 . 0.25 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 C5'-C4'-C3' 110.042 -3.639 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 C3'-C2'-C1' 99.631 -2.077 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.531 0 C5'-C4'-C3' 110.708 -3.194 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.879 0 C5'-C4'-O4' 114.089 3.492 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.029 0 C4'-C3'-C2' 98.759 -3.941 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.011 1 C4'-C3'-C2' 98.196 -4.504 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.472 0 C4'-C3'-C2' 99.271 -3.429 . 0.94 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.062 1 C5'-C4'-O4' 115.581 4.558 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.843 0 C4'-C3'-C2' 98.792 -3.908 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 0 C4'-C3'-C2' 99.046 -3.654 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O5'-C5'-C4' 113.078 2.056 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C5'-C4'-C3' 109.614 -3.924 . 0.709 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C5'-C4'-O4' 113.942 3.387 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 1 C3'-C2'-C1' 95.509 -6.657 . 0.466 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.486 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.544 2.581 0 C4'-C3'-C2' 99.099 -3.601 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 P-O3'-C3' 124.425 3.938 . 0.706 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 P-O3'-C3' 122.933 2.695 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.218 0 C4'-C3'-C2' 99.244 -3.456 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C4'-C3'-C2' 99.151 -3.549 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.228 0 C5'-C4'-O4' 112.834 2.596 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C4'-C3'-C2' 99.256 -3.444 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.16 0 C3'-C2'-C1' 102.931 1.589 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 0 O5'-C5'-C4' 112.753 1.823 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O5'-C5'-C4' 113.952 2.68 . 0.727 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 P-O3'-C3' 122.975 2.729 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.957 1 C4'-C3'-C2' 96.997 -5.703 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.43 1 C5'-C4'-O4' 115.32 4.371 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 1 C4'-C3'-C2' 98.255 -4.445 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 C4'-C3'-C2' 99.063 -3.637 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 0 C4'-C3'-C2' 99.642 -3.058 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 100.814 -1.886 . 0.949 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.065 0 O5'-C5'-C4' 114.558 3.113 . 0.2 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.474 -3.226 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.097 -3.603 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 98.778 -3.922 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 98.723 -3.977 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 C4'-C3'-C2' 98.812 -3.888 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.823 1 C4'-C3'-C2' 98.484 -4.216 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 99.343 -3.357 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.9 0 O4'-C4'-C3' 109.718 3.013 . 0.534 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.395 0 C4'-C3'-C2' 99.937 -2.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 98.889 -3.811 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 0 C4'-C3'-C2' 99.048 -3.652 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 100.066 -2.634 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 120.887 0.375 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.25 123.33 49.08 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.226 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.36 139.06 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.797 -169.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.98 128.05 33.3 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.479 171.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -109.95 23.73 13.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.915 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.68 154.24 25.87 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 170.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.02 114.71 2.05 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 -172.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.13 8.04 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.643 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.56 -78.48 0.24 Allowed 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 120.687 0.279 . . . . 0.0 111.095 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.52 14.17 77.53 Favored Glycine 0 CA--C 1.554 2.491 0 CA-C-N 116.354 -0.384 . . . . 0.0 113.452 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -69.78 143.33 53.01 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 117.481 0.641 . . . . 0.0 110.626 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.06 137.81 54.53 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.896 0.379 . . . . 0.0 111.131 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.34 155.58 41.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.172 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.439 ' HE2' ' HZ3' ' A' ' 118' ' ' LYS . 72.2 tttt -65.14 -40.95 95.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.021 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' HZ3' ' HE2' ' A' ' 117' ' ' LYS . 13.0 mmtp -132.49 145.47 51.19 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.804 0.335 . . . . 0.0 110.561 -173.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -63.62 -28.71 70.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.647 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -63.98 -31.58 72.82 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 122.209 -0.307 . . . . 0.0 111.053 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.15 -38.15 66.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.655 0.264 . . . . 0.0 110.677 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.0 tp -59.95 -46.99 87.61 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.869 0.366 . . . . 0.0 110.466 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -57.05 -43.68 82.23 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.2 t -59.22 -41.23 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -68.69 -45.0 72.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.247 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.75 -31.83 73.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.451 0.167 . . . . 0.0 111.347 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -28.8 53.04 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.799 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.75 -46.99 70.54 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 122.46 -0.15 . . . . 0.0 111.218 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.47 -36.34 83.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.744 0.307 . . . . 0.0 111.024 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 68.5 p -82.06 -18.79 41.91 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.64 31.47 17.37 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.317 0.647 . . . . 0.0 111.858 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.52 155.3 45.98 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.45 133.36 27.14 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 120.634 0.255 . . . . 0.0 111.265 -169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.98 -36.71 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.53 2.153 . . . . 0.0 113.207 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.57 94.09 5.94 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.518 -170.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -102.99 141.96 34.9 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.7 t -74.7 120.98 84.18 Favored Pre-proline 0 CA--C 1.565 1.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.472 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -92.36 5.41 3.45 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 C-N-CA 122.9 2.4 . . . . 0.0 113.163 -173.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -65.94 148.92 51.03 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.36 121.72 15.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.93 1.72 76.08 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.57 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.7 t -116.53 155.36 28.79 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.544 0.338 . . . . 0.0 110.646 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -153.54 14.94 0.5 Allowed 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.684 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -65.85 146.63 54.51 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.722 0.296 . . . . 0.0 110.497 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -133.4 150.85 51.79 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.572 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -134.16 160.37 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.08 -169.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.1 m -84.33 -28.31 27.16 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.571 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -132.52 154.7 81.63 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-O 120.606 0.241 . . . . 0.0 110.546 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.6 Cg_endo -66.91 -30.48 39.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.559 2.172 . . . . 0.0 112.424 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.0 p -61.15 -37.59 83.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -72.96 -40.85 64.99 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.66 -44.18 91.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.652 0.263 . . . . 0.0 110.635 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -54.99 -45.86 75.08 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.712 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.07 -30.45 69.65 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.154 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -69.11 -41.18 77.76 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.446 0.165 . . . . 0.0 110.963 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.84 -31.61 68.66 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.559 0.219 . . . . 0.0 110.881 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -59.82 -25.94 65.38 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.75 -42.39 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 120.721 0.296 . . . . 0.0 110.335 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.27 -30.05 60.32 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.332 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.86 -26.22 63.16 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 120.703 0.287 . . . . 0.0 110.812 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.97 169.95 43.85 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.534 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.07 94.8 44.95 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.49 145.99 13.48 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.502 2.135 . . . . 0.0 112.555 -171.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.5 t -74.28 142.0 45.28 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.025 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.12 13.12 1.83 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.315 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -66.03 -23.4 66.55 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -148.28 144.27 27.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.795 0.331 . . . . 0.0 110.571 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -65.08 -26.95 68.45 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.432 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 54.3 m -95.65 17.01 15.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.263 0.225 . . . . 0.0 111.302 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.78 160.09 14.53 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.99 6.55 0.38 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.29 138.26 58.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.752 0.311 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.3 t -128.35 123.78 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.288 170.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.96 139.52 15.81 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.138 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.19 -19.43 63.98 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.579 0.228 . . . . 0.0 111.092 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.97 160.82 41.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.843 0.354 . . . . 0.0 110.48 176.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -57.88 -38.85 76.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.283 -175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.16 -47.57 80.86 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.437 0.161 . . . . 0.0 111.122 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.01 -35.31 78.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.144 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -68.54 -48.02 65.38 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.559 0.219 . . . . 0.0 110.618 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.04 -39.93 91.67 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -63.9 -43.65 95.33 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.817 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.87 -41.98 98.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.74 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.9 t -63.22 -45.07 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.087 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.21 75.31 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.981 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.28 -27.71 20.38 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.35 -20.97 11.63 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -169.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -132.62 10.12 4.33 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -143.57 175.89 9.62 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.473 0.72 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.639 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 99.338 -3.362 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.572 -3.128 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 98.867 -3.833 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.661 -3.039 . 0.948 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -2.36 0 C4'-C3'-C2' 100.15 -2.55 . 0.354 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.001 0 O4'-C4'-C3' 111.039 3.957 . 0.597 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 P-O3'-C3' 124.315 3.846 . 0.576 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 1 C3'-C2'-C1' 97.653 -4.275 . 0.668 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.035 -3.665 . 0.711 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C4'-C3'-C2' 99.618 -3.082 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 C5'-C4'-O4' 114.866 4.047 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 0 C5'-C4'-C3' 110.726 -3.183 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 C3'-C2'-C1' 99.246 -2.504 . 0.169 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 O5'-C5'-C4' 114.72 3.229 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.926 0 C5'-C4'-O4' 114.074 3.482 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 C4'-C3'-C2' 98.758 -3.942 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 1 C4'-C3'-C2' 98.239 -4.461 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C4'-C3'-C2' 99.308 -3.392 . 0.932 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 1 C4'-C3'-C2' 98.632 -4.068 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 1 C4'-C3'-C2' 98.546 -4.154 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 1 C4'-C3'-C2' 98.64 -4.06 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C5'-C4'-O4' 112.902 2.644 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 C5'-C4'-C3' 108.32 -4.787 . 0.754 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C5'-C4'-O4' 113.051 2.75 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 2 C3'-C2'-C1' 95.132 -7.075 . 0.624 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 0 P-O3'-C3' 124.162 3.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 P-O3'-C3' 124.581 4.067 . 0.733 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.675 0 C4'-C3'-C2' 100.023 -2.677 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 C4'-C3'-C2' 99.237 -3.463 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 98.983 -3.717 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C5'-C4'-O4' 112.77 2.55 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.216 -3.484 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.144 0 C3'-C2'-C1' 102.883 1.536 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.476 0 O5'-C5'-C4' 112.725 1.804 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O5'-C5'-C4' 113.984 2.703 . 0.728 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 P-O3'-C3' 122.992 2.744 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 1 C4'-C3'-C2' 96.888 -5.812 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.566 1 C5'-C4'-O4' 115.327 4.376 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 1 C4'-C3'-C2' 98.297 -4.403 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.174 0 C4'-C3'-C2' 99.469 -3.231 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.674 -3.026 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 0 C4'-C3'-C2' 100.697 -2.003 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.177 0 O5'-C5'-C4' 114.855 3.325 . 0.181 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.906 0 C4'-C3'-C2' 99.594 -3.106 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 99.314 -3.386 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 98.902 -3.798 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 C4'-C3'-C2' 98.598 -4.102 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C4'-C3'-C2' 98.816 -3.884 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.803 1 C4'-C3'-C2' 98.637 -4.063 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.991 0 C4'-C3'-C2' 99.445 -3.255 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 O4'-C4'-C3' 109.626 2.947 . 0.607 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.462 0 C5'-C4'-C3' 110.832 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 C4'-C3'-C2' 99.003 -3.697 . 0.923 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 99.037 -3.663 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.968 -2.732 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -109.12 118.82 37.74 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.182 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.4 t -111.17 139.05 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.829 -168.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.7 128.1 33.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.544 170.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -110.07 24.22 13.31 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.78 153.63 28.03 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.69 114.72 1.99 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 120.78 0.324 . . . . 0.0 111.185 -172.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.8 t30 69.75 15.26 8.04 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.711 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.1 -78.42 0.25 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 120.746 0.308 . . . . 0.0 110.948 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.34 15.55 74.98 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 113.415 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -69.74 142.76 53.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.556 0.678 . . . . 0.0 110.498 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.98 138.06 54.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.899 0.38 . . . . 0.0 111.201 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.19 155.35 41.9 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.03 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -71.3 -35.3 71.22 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 6.9 mttp -130.85 150.57 51.96 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 120.925 0.393 . . . . 0.0 111.272 -178.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -67.98 -28.77 67.73 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.767 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -64.83 -31.71 73.07 Favored 'General case' 0 CA--C 1.558 1.285 0 O-C-N 122.183 -0.323 . . . . 0.0 110.964 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -73.02 -37.23 67.0 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.715 0.293 . . . . 0.0 110.685 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.04 -47.11 87.2 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 120.701 0.286 . . . . 0.0 110.449 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -57.26 -44.1 83.62 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.4 t -58.11 -41.18 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.99 -45.04 71.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.244 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.6 -31.81 73.05 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.84 -0.164 . . . . 0.0 111.389 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.82 52.93 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.828 175.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.0 t -67.6 -46.99 71.0 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 122.423 -0.173 . . . . 0.0 111.173 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.46 -36.34 83.87 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.029 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -81.69 -18.21 45.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.74 16.71 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.96 -175.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -131.03 156.0 45.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.229 169.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.63 131.54 29.23 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.009 -169.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -79.19 -38.1 0.46 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.502 2.134 . . . . 0.0 113.282 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.3 m-85 -95.74 94.49 7.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.474 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.21 142.97 30.01 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.865 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.16 120.71 82.72 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.51 4.63 5.01 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 C-N-CA 122.804 2.336 . . . . 0.0 113.195 -172.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.93 144.08 57.36 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.922 0.391 . . . . 0.0 111.049 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.42 109.38 3.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 106.78 -2.77 36.08 Favored Glycine 0 CA--C 1.545 1.927 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -108.01 155.74 20.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -145.13 12.15 1.38 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.27 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -65.33 144.02 57.38 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.665 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -133.33 150.36 51.86 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.395 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -134.05 158.24 44.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.923 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.7 p -83.04 -26.76 30.86 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.465 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.2 154.85 81.78 Favored Pre-proline 0 N--CA 1.476 0.841 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.3 Cg_endo -66.4 -31.76 42.07 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.8 m -64.48 -38.48 91.15 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.32 -41.77 84.76 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.74 -46.58 81.61 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.61 -37.07 82.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.042 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -69.8 -39.69 76.43 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.728 -0.214 . . . . 0.0 110.806 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -59.03 -33.8 71.17 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.723 0.297 . . . . 0.0 110.985 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.4 -31.27 67.53 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 120.697 0.284 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -59.55 -25.73 64.78 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.271 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.74 -42.0 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-O 120.605 0.241 . . . . 0.0 110.651 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.05 -30.29 55.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.267 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.01 64.9 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.63 174.58 48.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.587 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.17 94.87 44.65 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.78 142.25 15.81 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 122.407 2.071 . . . . 0.0 112.361 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.48 141.37 50.21 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -141.98 12.01 2.02 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.628 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.08 -23.56 65.86 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.105 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -151.23 145.32 25.3 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.844 0.354 . . . . 0.0 110.739 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.77 -28.26 68.9 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.491 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -94.86 18.97 10.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.252 0.221 . . . . 0.0 111.127 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 t -114.47 135.08 54.5 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.18 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 30.4 m -136.09 16.49 3.25 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 142.11 58.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.645 0.259 . . . . 0.0 110.837 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.4 t -128.22 122.64 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 120.849 0.356 . . . . 0.0 110.369 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.53 132.65 11.22 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.12 -15.54 63.78 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 122.824 -0.221 . . . . 0.0 111.148 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.92 162.17 41.32 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 120.78 0.324 . . . . 0.0 110.359 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -57.72 -40.5 79.72 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.333 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.1 p -57.02 -47.63 80.41 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.18 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.87 -35.47 78.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.846 -0.161 . . . . 0.0 111.297 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -69.38 -48.08 62.25 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.652 0.263 . . . . 0.0 110.665 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 37.6 mt -59.99 -41.9 93.06 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.063 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -65.07 -41.55 94.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.977 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.84 -43.14 99.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.691 0.282 . . . . 0.0 110.706 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 t -62.23 -45.0 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.112 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.55 73.95 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.732 0.301 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -89.3 -30.09 18.7 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.931 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.39 -20.97 12.73 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -169.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -133.92 11.41 3.96 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.47 174.74 10.49 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.887 0.375 . . . . 0.0 110.604 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.983 0 C4'-C3'-C2' 99.237 -3.463 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.474 -3.226 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C4'-C3'-C2' 98.734 -3.966 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.571 -3.129 . 0.95 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 1 O5'-C5'-C4' 115.954 4.11 . 0.313 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.67 0 O4'-C4'-C3' 110.569 3.62 . 0.658 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 P-O3'-C3' 123.501 3.167 . 0.59 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 C3'-C2'-C1' 97.55 -4.388 . 0.666 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C4'-C3'-C2' 99.271 -3.429 . 0.695 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 0 C4'-C3'-C2' 99.646 -3.054 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 C5'-C4'-O4' 115.15 4.25 . 0.259 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.608 0 C5'-C4'-C3' 110.041 -3.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.499 0 C3'-C2'-C1' 99.695 -2.006 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.607 -3.262 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.845 0 C5'-C4'-O4' 114.119 3.513 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 98.76 -3.94 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.367 -4.333 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.494 0 C4'-C3'-C2' 99.334 -3.366 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 1 C5'-C4'-O4' 114.93 4.093 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.911 0 C4'-C3'-C2' 98.809 -3.891 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C4'-C3'-C2' 98.7 -4.0 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C5'-C4'-O4' 112.802 2.573 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 1 C5'-C4'-C3' 108.551 -4.633 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 C5'-C4'-O4' 113.259 2.899 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.464 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 2.0 1 C3'-C2'-C1' 96.298 -5.779 . 0.6 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.575 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-C2' 101.009 -3.851 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 P-O3'-C3' 124.154 3.711 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.754 0 C4'-C3'-C2' 100.044 -2.656 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 C4'-C3'-C2' 99.233 -3.467 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.965 0 C4'-C3'-C2' 99.08 -3.62 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 0 C5'-C4'-O4' 112.815 2.582 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C4'-C3'-C2' 99.257 -3.443 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 C3'-C2'-C1' 102.889 1.544 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.533 0 O5'-C5'-C4' 112.769 1.835 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O5'-C5'-C4' 113.925 2.66 . 0.727 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 P-O3'-C3' 122.968 2.723 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 1 C4'-C3'-C2' 96.985 -5.715 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 1 C5'-C4'-O4' 115.352 4.394 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 1 C4'-C3'-C2' 98.381 -4.319 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.697 0 C4'-C3'-C2' 98.962 -3.738 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.629 -3.071 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 100.777 -1.923 . 0.943 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.928 0 O5'-C5'-C4' 114.357 2.969 . 0.197 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 99.488 -3.212 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 98.98 -3.72 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 C4'-C3'-C2' 98.641 -4.059 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 0 C4'-C3'-C2' 98.792 -3.908 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 98.775 -3.925 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.789 1 C4'-C3'-C2' 98.51 -4.19 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.999 0 C4'-C3'-C2' 99.312 -3.388 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 0 O4'-C4'-C3' 109.716 3.012 . 0.581 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C5'-C4'-C3' 110.9 -3.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.095 0 C4'-C3'-C2' 98.913 -3.787 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.941 0 C4'-C3'-C2' 98.981 -3.719 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 99.863 -2.837 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -109.1 123.4 49.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.322 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.18 139.16 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -169.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.42 128.7 33.99 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.428 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.61 24.35 13.07 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.881 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.12 25.02 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.84 114.72 2.01 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 120.84 0.352 . . . . 0.0 111.246 -172.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.5 t30 69.76 15.07 8.06 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.89 -79.18 0.23 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.69 15.15 77.81 Favored Glycine 0 CA--C 1.556 2.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 113.421 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -70.57 143.31 51.61 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.495 0.648 . . . . 0.0 110.669 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.69 137.41 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.873 0.368 . . . . 0.0 111.121 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.23 156.24 40.58 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.224 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -65.39 -40.45 93.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.247 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -133.92 147.26 51.07 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.769 0.319 . . . . 0.0 110.725 -172.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -63.06 -28.81 70.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.626 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -64.5 -31.91 73.32 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 122.445 -0.159 . . . . 0.0 111.02 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -73.09 -37.53 66.71 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.731 0.3 . . . . 0.0 110.82 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.47 -47.1 87.19 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.814 0.34 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -58.12 -41.11 82.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 10.2 t -59.97 -41.23 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.16 -45.03 71.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.255 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.5 -31.82 73.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.431 0.158 . . . . 0.0 111.252 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.88 55.05 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.959 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 -46.62 69.24 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.407 -0.183 . . . . 0.0 111.232 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -64.07 -36.4 83.89 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.988 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.4 -18.68 41.08 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 31.68 17.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.383 0.673 . . . . 0.0 111.902 -175.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.56 156.42 44.86 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.384 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.48 131.38 31.13 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.924 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.51 -36.94 0.78 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.568 2.179 . . . . 0.0 113.345 -170.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.55 96.69 7.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.535 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.93 143.03 30.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.814 0.34 . . . . 0.0 110.932 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.7 t -76.06 120.8 83.26 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.469 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.24 4.74 4.6 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.827 2.351 . . . . 0.0 113.2 -173.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -65.84 149.25 50.47 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.137 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.91 121.69 15.22 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.45 0.2 79.85 Favored Glycine 0 CA--C 1.546 2.019 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.723 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.21 152.5 24.0 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.776 0.322 . . . . 0.0 110.685 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -145.92 11.7 1.24 Allowed 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.27 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 146.84 53.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.902 0.382 . . . . 0.0 110.749 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -132.88 152.96 51.78 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -133.75 157.53 45.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.07 -169.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 p -80.9 -28.02 36.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.43 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -128.98 154.87 80.39 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-O 120.731 0.301 . . . . 0.0 110.849 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.8 Cg_endo -66.76 -34.93 29.64 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.363 2.042 . . . . 0.0 112.082 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.5 p -64.01 -34.71 78.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -72.92 -38.14 66.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.0 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.94 -46.42 78.25 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 172.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.01 -40.11 79.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -72.35 -36.91 68.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.989 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -59.01 -33.72 71.05 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.796 0.331 . . . . 0.0 110.926 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.38 -30.55 66.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.749 0.309 . . . . 0.0 110.694 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.53 -25.71 64.73 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.345 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.83 -42.32 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-O 120.669 0.271 . . . . 0.0 110.538 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -76.27 -29.31 57.38 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.19 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.01 64.91 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.623 0.249 . . . . 0.0 110.895 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.68 173.98 48.15 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.408 -0.36 . . . . 0.0 112.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -124.09 94.67 45.1 Favored Pre-proline 0 C--O 1.237 0.43 0 C-N-CA 122.53 0.332 . . . . 0.0 110.109 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.48 139.7 13.01 Favored 'Trans proline' 0 N--CA 1.441 -1.592 0 C-N-CA 122.239 1.959 . . . . 0.0 112.19 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.86 141.3 53.23 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.035 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -139.84 11.66 2.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.433 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -68.1 -21.92 64.93 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.081 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -149.19 141.45 24.08 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.408 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -68.36 -21.4 64.73 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.555 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 67.2 m -99.45 17.17 20.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.149 0.18 . . . . 0.0 111.31 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -92.78 159.55 15.35 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.1 p -149.36 2.54 0.56 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -65.37 138.49 58.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.728 0.299 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.5 t -128.24 120.63 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.233 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.16 136.89 14.88 Favored Glycine 0 N--CA 1.476 1.335 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.147 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -65.96 -19.09 65.75 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.722 -0.281 . . . . 0.0 111.068 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.08 162.09 41.09 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.906 0.384 . . . . 0.0 110.668 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -57.74 -40.94 80.85 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.374 -175.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.6 p -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.168 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.7 -33.37 75.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.346 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -71.01 -48.09 55.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.658 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.15 -41.4 92.67 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.03 -43.39 95.74 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.973 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -61.85 -40.23 94.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.28 -45.11 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.95 71.59 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.757 -0.202 . . . . 0.0 111.268 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.26 -43.03 11.26 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 5.9 t -94.11 -20.45 19.88 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -169.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -129.91 48.68 2.36 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.087 0.47 . . . . 0.0 110.72 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -50.91 -37.07 41.7 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.365 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.941 0.4 . . . . 0.0 110.827 179.621 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C4'-C3'-C2' 99.135 -3.565 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.883 0 C4'-C3'-C2' 99.42 -3.28 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.133 0 C4'-C3'-C2' 98.826 -3.874 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.717 -2.983 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.408 0 O5'-C5'-C4' 115.618 3.87 . 0.313 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.652 1 O4'-C4'-C3' 111.173 4.052 . 0.651 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 P-O3'-C3' 124.244 3.787 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 C3'-C2'-C1' 97.585 -4.35 . 0.66 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C4'-C3'-C2' 99.12 -3.58 . 0.694 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.987 0 C4'-C3'-C2' 99.831 -2.869 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 1 C5'-C4'-O4' 114.963 4.117 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.963 0 C5'-C4'-O4' 113.65 3.178 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C3'-C2'-C1' 99.168 -2.591 . 0.186 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.464 0 O5'-C5'-C4' 114.814 3.296 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.795 0 C5'-C4'-O4' 114.32 3.657 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 1 C4'-C3'-C2' 98.651 -4.049 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.04 1 C4'-C3'-C2' 98.234 -4.466 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 1 C4'-C3'-C2' 98.242 -4.458 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.188 -3.512 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 1 C4'-C3'-C2' 98.392 -4.308 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 98.89 -3.81 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.965 -2.735 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C5'-C4'-C3' 109.581 -3.946 . 0.615 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 1 C5'-C4'-O4' 114.866 4.047 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 1 C3'-C2'-C1' 95.985 -6.128 . 0.32 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.083 0 C3'-C2'-C1' 98.057 -3.825 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 P-O3'-C3' 124.544 4.037 . 0.725 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.718 0 C4'-C3'-C2' 99.721 -2.979 . 0.477 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 0 C4'-C3'-C2' 98.963 -3.737 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.899 0 C4'-C3'-C2' 98.979 -3.721 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 0 C5'-C4'-O4' 112.772 2.552 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 C4'-C3'-C2' 99.201 -3.499 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C3'-C2'-C1' 102.885 1.539 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.503 0 O5'-C5'-C4' 112.699 1.785 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O5'-C5'-C4' 113.98 2.7 . 0.729 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 P-O3'-C3' 123.014 2.762 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.023 1 C4'-C3'-C2' 96.925 -5.775 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 1 C5'-C4'-O4' 115.348 4.392 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 1 C4'-C3'-C2' 98.108 -4.592 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C4'-C3'-C2' 98.84 -3.86 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C4'-C3'-C2' 99.391 -3.309 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C4'-C3'-C2' 101.025 -1.675 . 0.931 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.811 0 P-O3'-C3' 123.131 2.859 . 0.198 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.307 -3.393 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 98.845 -3.855 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 1 C4'-C3'-C2' 98.523 -4.177 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C4'-C3'-C2' 98.732 -3.968 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C4'-C3'-C2' 98.769 -3.931 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.785 1 C4'-C3'-C2' 98.617 -4.083 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.993 0 C4'-C3'-C2' 99.538 -3.162 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.339 0 O4'-C4'-C3' 109.818 3.084 . 0.576 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.686 0 C5'-C4'-C3' 110.49 -3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 98.74 -3.96 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 C4'-C3'-C2' 99.019 -3.681 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.957 -2.743 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 120.773 0.321 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.16 123.1 48.66 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.31 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.1 t -111.09 139.15 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.602 -169.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.17 128.93 34.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.467 171.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -111.11 24.89 12.35 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -61.62 155.12 23.21 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.09 170.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.05 114.68 2.04 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.851 0.358 . . . . 0.0 111.166 -172.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.4 t30 69.76 15.0 8.06 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.2 t -85.59 -79.02 0.25 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 120.698 0.285 . . . . 0.0 110.983 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.68 15.13 75.54 Favored Glycine 0 CA--C 1.553 2.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.39 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -69.74 142.65 53.23 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 117.509 0.654 . . . . 0.0 110.573 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.53 136.95 54.92 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.986 0.422 . . . . 0.0 111.19 -173.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -126.05 156.75 39.47 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.009 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.494 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 13.2 mttp -137.98 153.75 49.41 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.757 0.313 . . . . 0.0 111.272 -169.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -63.65 -28.8 70.16 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -63.89 -36.93 85.56 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 122.415 -0.178 . . . . 0.0 110.948 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.05 -35.63 66.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.676 0.275 . . . . 0.0 110.723 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.7 tp -62.18 -47.19 85.59 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 120.743 0.306 . . . . 0.0 110.66 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -61.95 -38.35 88.16 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.784 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.9 t -60.02 -41.13 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.941 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -68.51 -44.89 73.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.188 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.45 -31.72 72.96 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.394 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.84 54.33 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 120.415 0.15 . . . . 0.0 110.81 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.1 t -67.91 -46.67 70.92 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.265 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.41 -36.4 84.02 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.023 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.8 p -82.15 -18.48 42.67 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.95 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.51 30.81 15.85 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.4 0.68 . . . . 0.0 111.97 -176.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.88 156.34 43.82 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.31 . . . . 0.0 110.333 169.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.4 mt -96.4 131.35 28.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -79.04 -36.93 0.62 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.604 2.203 . . . . 0.0 113.276 -171.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.539 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.1 m-85 -96.79 92.54 6.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.98 0.419 . . . . 0.0 110.668 -169.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.19 140.19 30.45 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.96 119.85 78.3 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.443 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.55 5.29 4.78 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 C-N-CA 122.854 2.369 . . . . 0.0 113.221 -173.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.17 147.04 54.18 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.8 118.79 10.16 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 93.89 1.48 65.41 Favored Glycine 0 CA--C 1.544 1.905 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.691 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.3 t -110.99 154.04 24.71 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.86 0.362 . . . . 0.0 110.699 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.55 13.4 1.36 Allowed 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.25 145.27 56.45 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.713 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -133.49 151.75 51.81 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -134.05 160.49 37.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.302 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.9 p -84.99 -22.28 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.497 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.8 mt -138.49 153.59 72.75 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 120.703 0.287 . . . . 0.0 110.883 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.539 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 31.6 Cg_endo -67.14 -30.58 37.98 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.521 2.147 . . . . 0.0 112.206 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.3 p -64.02 -39.01 93.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -37.48 66.96 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.05 -44.48 92.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 120.774 0.321 . . . . 0.0 110.705 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.09 -38.61 91.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.939 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.9 mtm-85 -69.84 -33.74 72.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.772 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.24 -36.38 83.89 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 120.579 0.228 . . . . 0.0 110.777 172.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.74 -31.58 68.44 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.713 0.292 . . . . 0.0 110.986 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.0 -25.67 65.46 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.153 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.8 t -61.79 -42.18 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-O 120.859 0.362 . . . . 0.0 110.294 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -77.08 -32.32 56.61 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.0 64.82 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.678 0.275 . . . . 0.0 110.925 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.1 169.71 39.55 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.47 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.09 94.78 44.92 Favored Pre-proline 0 N--CA 1.468 0.445 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.22 145.02 15.0 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 122.452 2.101 . . . . 0.0 112.64 -171.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.41 143.22 48.61 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.058 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -142.08 13.1 2.03 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.2 -22.07 64.83 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.119 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -150.43 145.16 25.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.55 -29.01 69.57 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.497 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 56.8 m -97.23 19.25 13.37 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.189 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.8 t -113.23 133.65 54.98 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.167 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.2 m -132.87 15.75 4.28 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.465 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.05 138.41 57.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 43.2 t -128.32 121.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.96 142.4 18.33 Favored Glycine 0 N--CA 1.478 1.438 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.169 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.71 -17.75 62.19 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.428 0.156 . . . . 0.0 111.264 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.28 160.12 42.87 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -58.02 -38.79 76.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.216 -175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.1 p -57.65 -46.24 84.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.165 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.17 -34.06 76.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.266 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -69.82 -48.1 60.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.601 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 67.1 mt -60.24 -41.31 92.9 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.99 -42.62 97.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -61.9 -40.91 97.09 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.879 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 11.4 t -61.98 -45.09 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.093 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.53 69.7 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 120.609 0.242 . . . . 0.0 111.089 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -89.42 -43.95 10.51 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.591 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.6 m -97.45 -18.3 19.14 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -133.42 39.83 3.2 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.085 0.469 . . . . 0.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.2 -29.75 70.59 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 179.442 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.157 0 C4'-C3'-C2' 99.297 -3.403 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.245 -3.455 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C4'-C3'-C2' 98.785 -3.915 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.53 -3.17 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -2.73 0 O5'-C5'-C4' 115.369 3.692 . 0.373 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O5'-C5'-C4' 115.307 3.648 . 0.646 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 O5'-C5'-C4' 115.492 3.78 . 0.531 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 1 C3'-C2'-C1' 96.809 -5.212 . 0.637 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.35 -3.35 . 0.691 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 0 C4'-C3'-C2' 99.632 -3.068 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C5'-C4'-O4' 115.153 4.252 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.614 0 C5'-C4'-C3' 110.106 -3.596 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 O5'-C5'-C4' 112.678 1.77 . 0.115 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.428 -3.382 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.901 0 C5'-C4'-C3' 110.114 -3.591 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 98.963 -3.737 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.401 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.974 0 C4'-C3'-C2' 98.829 -3.871 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.371 1 C4'-C3'-C2' 98.304 -4.396 . 0.911 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.961 1 C4'-C3'-C2' 98.297 -4.403 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 C4'-C3'-C2' 98.999 -3.701 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.929 0 C4'-C3'-C2' 98.864 -3.836 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 C4'-C3'-C2' 99.827 -2.873 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C5'-C4'-C3' 109.575 -3.95 . 0.583 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-O4' 115.15 4.25 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 C3'-C2'-C1' 95.86 -6.267 . 0.347 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.494 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.546 2.785 0 C4'-C3'-C2' 98.755 -3.945 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 P-O3'-C3' 124.198 3.749 . 0.688 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.713 0 P-O3'-C3' 122.775 2.563 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 C4'-C3'-C2' 99.244 -3.456 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 98.976 -3.724 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.314 0 C5'-C4'-O4' 112.823 2.588 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 99.303 -3.397 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.161 0 C3'-C2'-C1' 102.9 1.556 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.568 0 O5'-C5'-C4' 112.801 1.858 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O5'-C5'-C4' 113.973 2.695 . 0.728 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 P-O3'-C3' 123.065 2.804 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.052 1 C4'-C3'-C2' 96.973 -5.727 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 1 C5'-C4'-O4' 115.378 4.413 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 C4'-C3'-C2' 98.251 -4.449 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.745 0 C4'-C3'-C2' 99.507 -3.193 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.084 0 C4'-C3'-C2' 99.568 -3.132 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 100.972 -1.728 . 0.942 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.767 0 P-O3'-C3' 123.165 2.888 . 0.202 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C4'-C3'-C2' 99.373 -3.327 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 98.917 -3.783 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 1 C4'-C3'-C2' 98.685 -4.015 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 98.835 -3.865 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 98.945 -3.755 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 1 C4'-C3'-C2' 98.627 -4.073 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 C4'-C3'-C2' 99.272 -3.428 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.091 0 O4'-C4'-C3' 109.979 3.199 . 0.541 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.551 0 C5'-C4'-C3' 111.028 -2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 98.805 -3.895 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.075 0 C4'-C3'-C2' 99.122 -3.578 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.975 -2.725 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -109.07 123.96 50.0 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.311 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.9 139.17 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.444 -169.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.84 127.64 32.72 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.387 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -109.59 24.08 13.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.94 153.89 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.75 114.68 1.98 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.9 t30 69.74 15.2 8.06 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.676 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.3 t -84.9 -78.63 0.24 Allowed 'General case' 0 CA--C 1.561 1.373 0 CA-C-O 120.759 0.314 . . . . 0.0 111.016 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.95 77.21 Favored Glycine 0 CA--C 1.554 2.478 0 CA-C-N 116.407 -0.36 . . . . 0.0 113.474 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.0 tttp -70.08 143.14 52.53 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 117.45 0.625 . . . . 0.0 110.63 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.29 137.49 54.84 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 120.967 0.413 . . . . 0.0 111.124 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.17 151.51 47.23 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.041 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.495 ' HG2' ' HZ2' ' A' ' 118' ' ' LYS . 25.2 ttpt -64.49 -34.49 78.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.03 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.497 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 30.6 mmtm -137.81 150.16 46.96 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.153 -174.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -65.2 -28.47 69.41 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.836 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.7 78.43 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 122.253 -0.279 . . . . 0.0 110.551 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -73.15 -36.69 66.7 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.573 0.225 . . . . 0.0 110.696 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.83 -47.19 86.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.769 0.318 . . . . 0.0 110.518 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -59.79 -40.14 87.32 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.642 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.8 -41.14 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.932 175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -68.7 -45.07 72.57 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.65 0.262 . . . . 0.0 111.241 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.63 -31.75 72.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.342 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.89 54.06 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.449 0.166 . . . . 0.0 110.845 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.78 -46.73 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 122.403 -0.185 . . . . 0.0 111.236 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.49 -36.39 84.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.089 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.2 p -82.17 -18.63 42.11 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.43 31.51 17.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.39 0.676 . . . . 0.0 111.913 -175.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.65 155.78 45.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 169.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.47 132.57 27.35 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.18 -169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.78 -37.11 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.584 2.19 . . . . 0.0 113.235 -171.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.535 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -97.66 92.05 5.7 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 -169.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -96.2 140.93 30.19 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.5 t -73.9 120.66 82.38 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.455 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -88.99 6.08 4.75 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 122.838 2.359 . . . . 0.0 113.318 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.37 143.38 57.07 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.005 0.431 . . . . 0.0 110.997 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 103.42 1.58 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.8 -1.52 28.85 Favored Glycine 0 CA--C 1.545 1.945 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.506 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.73 157.96 16.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.794 0.33 . . . . 0.0 110.636 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -145.78 10.79 1.22 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.433 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.76 144.41 56.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.818 0.342 . . . . 0.0 110.756 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -135.19 153.3 52.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.376 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -134.04 158.19 44.19 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.977 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.0 p -82.15 -28.05 32.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -132.56 153.04 81.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.636 0.255 . . . . 0.0 110.597 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.2 Cg_endo -66.68 -28.5 44.16 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.551 2.168 . . . . 0.0 112.445 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.5 p -67.0 -37.77 84.81 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -37.08 69.62 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.792 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.7 tp -63.64 -43.8 95.72 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.718 0.294 . . . . 0.0 110.591 171.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.4 -42.07 81.55 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.88 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -37.74 86.15 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.914 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.41 -37.93 89.17 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.501 0.191 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.71 -31.32 68.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -59.72 -25.73 65.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.153 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.7 -41.91 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 120.741 0.305 . . . . 0.0 110.454 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -77.06 -30.68 55.65 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.268 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.9 -28.97 64.93 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 120.615 0.245 . . . . 0.0 110.949 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.49 170.66 40.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 116.404 -0.362 . . . . 0.0 112.33 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.08 94.75 45.0 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.6 145.19 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.488 2.125 . . . . 0.0 112.599 -171.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 142.3 44.42 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.1 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -145.22 13.46 1.42 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.466 172.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -62.72 -26.77 68.85 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.739 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -143.31 142.76 31.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.014 171.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.43 -20.39 63.78 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -96.05 17.16 16.08 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.35 0.26 . . . . 0.0 111.25 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.41 134.85 53.72 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.229 175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.0 m -130.95 15.73 5.21 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.532 -172.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.41 139.13 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.34 123.54 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.65 139.04 15.63 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 121.316 -0.468 . . . . 0.0 112.229 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.26 -24.61 67.95 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.175 0.19 . . . . 0.0 110.993 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.32 162.24 39.36 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.719 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.402 ' CE2' ' C8 ' ' B' ' 6' ' ' ' A' . 28.8 t-105 -58.55 -39.38 80.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.299 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -57.09 -48.07 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.432 0.158 . . . . 0.0 111.089 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.43 -34.44 76.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.239 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -68.63 -48.15 64.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.665 0.269 . . . . 0.0 110.673 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.54 -41.47 94.56 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -65.2 -40.87 94.78 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.978 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -61.83 -41.89 98.35 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.716 0.293 . . . . 0.0 110.682 175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.6 t -63.52 -45.01 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.185 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.86 76.74 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.819 0.342 . . . . 0.0 111.138 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -89.33 -23.87 22.14 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.4 t -116.73 -19.55 9.89 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -133.79 11.47 4.0 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.99 174.27 10.82 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.886 0.374 . . . . 0.0 110.569 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 N--CA 1.475 0.807 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.702 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 0 C4'-C3'-C2' 99.341 -3.359 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 C4'-C3'-C2' 99.271 -3.429 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C4'-C3'-C2' 98.886 -3.814 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.979 -2.721 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -2.657 1 O5'-C5'-C4' 116.141 4.244 . 0.318 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.402 ' C8 ' ' CE2' ' A' ' 177' ' ' TRP . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O5'-C5'-C4' 117.101 4.929 . 0.662 4a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 O5'-C5'-C4' 115.576 3.84 . 0.496 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 C3'-C2'-C1' 96.985 -5.016 . 0.622 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 99.217 -3.483 . 0.684 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 C4'-C3'-C2' 99.776 -2.924 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C5'-C4'-O4' 115.156 4.255 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.708 0 C5'-C4'-C3' 110.027 -3.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.524 0 C4'-C3'-C2' 100.793 -1.907 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.419 0 C5'-C4'-C3' 110.286 -3.476 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 0 C5'-C4'-C3' 109.604 -3.931 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 98.969 -3.731 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.02 1 C4'-C3'-C2' 98.61 -4.09 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 C4'-C3'-C2' 100.073 -2.627 . 0.931 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.142 0 C5'-C4'-O4' 114.761 3.972 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 0 C4'-C3'-C2' 98.745 -3.955 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 C4'-C3'-C2' 98.805 -3.895 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 1 C5'-C4'-O4' 114.831 4.022 . 0.478 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C5'-C4'-C3' 110.596 -3.269 . 0.57 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-O4' 112.451 2.322 . 0.512 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.497 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 C3'-C2'-C1' 98.42 -3.423 . 0.607 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.226 4 C5'-C4'-O4' 116.995 5.568 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 P-O3'-C3' 123.91 3.508 . 0.721 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.897 0 C4'-C3'-C2' 99.686 -3.014 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.088 0 C4'-C3'-C2' 99.094 -3.606 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.832 0 C4'-C3'-C2' 99.015 -3.685 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 0 C5'-C4'-O4' 112.679 2.485 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.256 -3.444 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 C3'-C2'-C1' 102.852 1.502 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 O5'-C5'-C4' 112.725 1.804 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.88 2.628 . 0.727 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 P-O3'-C3' 123.036 2.78 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C4'-C3'-C2' 96.884 -5.816 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.407 1 C5'-C4'-O4' 115.335 4.382 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 1 C4'-C3'-C2' 98.138 -4.562 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.221 1 O5'-C5'-C4' 115.89 4.064 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 C4'-C3'-C2' 100.039 -2.661 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.017 0 C4'-C3'-C2' 100.861 -1.839 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.795 0 P-O3'-C3' 123.073 2.811 . 0.174 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C4'-C3'-C2' 99.325 -3.375 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 98.916 -3.784 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 1 C4'-C3'-C2' 98.419 -4.281 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 C4'-C3'-C2' 98.646 -4.054 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.855 0 C4'-C3'-C2' 98.952 -3.748 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.678 0 C4'-C3'-C2' 98.774 -3.926 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 C4'-C3'-C2' 99.418 -3.282 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 0 O4'-C4'-C3' 109.978 3.198 . 0.552 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.597 0 O5'-C5'-C4' 115.057 3.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 1 C4'-C3'-C2' 98.551 -4.149 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 0 C4'-C3'-C2' 98.831 -3.869 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C4'-C3'-C2' 100.219 -2.481 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.848 0.356 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -109.17 121.98 46.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.206 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.72 139.01 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.587 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.66 128.28 33.83 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.487 171.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 23.89 13.73 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.78 153.98 27.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 170.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.42 114.7 2.12 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.218 -171.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 69.7 15.02 8.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.732 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.1 t -83.92 -78.95 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 120.669 0.271 . . . . 0.0 111.047 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.18 14.1 79.21 Favored Glycine 0 CA--C 1.554 2.504 0 CA-C-N 116.386 -0.37 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -69.5 143.1 53.57 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 117.539 0.67 . . . . 0.0 110.609 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.12 136.12 54.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.894 0.378 . . . . 0.0 111.143 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.25 156.06 40.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.057 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -32.28 58.05 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.023 -178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -123.53 146.32 48.19 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 120.887 0.375 . . . . 0.0 110.986 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -64.22 -28.5 69.78 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -63.84 -32.55 74.1 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.451 -0.156 . . . . 0.0 110.957 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.95 -38.22 66.84 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 120.594 0.235 . . . . 0.0 110.711 172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.885 0.374 . . . . 0.0 110.504 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.13 -41.08 87.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.73 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 10.0 t -60.96 -41.15 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.72 -44.54 77.41 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.257 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.52 -31.87 73.16 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.296 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -28.8 52.89 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.827 -0.169 . . . . 0.0 110.925 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -68.17 -46.89 69.5 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.452 -0.155 . . . . 0.0 111.18 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.22 -36.34 83.76 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.795 0.331 . . . . 0.0 111.031 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.4 p -81.84 -18.47 43.8 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.76 32.33 17.29 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.326 0.65 . . . . 0.0 111.861 -175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.58 155.43 46.53 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.685 0.279 . . . . 0.0 110.318 169.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.0 mt -94.52 131.49 30.83 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.074 -170.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.26 -35.2 1.32 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.575 2.184 . . . . 0.0 113.202 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 77.3 m-85 -101.54 92.38 4.87 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.491 -169.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -96.41 140.28 31.3 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.5 t -73.89 118.96 73.61 Favored Pre-proline 0 CA--C 1.563 1.447 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -89.95 5.16 4.63 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.801 2.334 . . . . 0.0 113.231 -172.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.92 147.52 53.24 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.975 0.417 . . . . 0.0 111.095 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.29 120.72 13.28 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.67 -2.19 72.89 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.638 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.6 t -106.04 152.49 23.3 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.44 12.21 1.52 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.36 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 144.72 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 120.831 0.348 . . . . 0.0 110.729 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.4 153.92 51.2 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.289 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -134.07 157.17 46.83 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.128 -169.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 p -83.69 -26.12 30.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.408 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -130.43 155.09 81.56 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.281 0.233 . . . . 0.0 110.647 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.0 Cg_endo -67.57 -34.0 26.97 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.36 2.04 . . . . 0.0 112.144 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 p -62.46 -35.59 79.78 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.097 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -72.92 -37.94 67.04 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.912 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.93 -45.42 81.92 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.81 0.338 . . . . 0.0 110.778 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -59.63 -39.18 83.46 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.008 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -70.44 -38.06 74.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.814 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -60.93 -33.82 73.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.668 0.271 . . . . 0.0 111.065 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.45 -31.1 67.46 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 120.802 0.334 . . . . 0.0 110.696 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -59.52 -25.74 64.74 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.264 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.9 -42.78 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.592 0.234 . . . . 0.0 110.671 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.03 -27.36 54.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.269 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.35 64.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.707 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.5 174.7 50.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.529 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.14 94.73 44.91 Favored Pre-proline 0 C--O 1.236 0.359 0 C-N-CA 122.477 0.311 . . . . 0.0 110.231 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.14 140.41 13.99 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 122.205 1.937 . . . . 0.0 112.317 -174.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -70.98 142.01 51.01 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -142.77 12.5 1.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.83 -23.33 66.02 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.62 144.84 25.5 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.792 0.33 . . . . 0.0 110.613 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.71 -27.45 68.34 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.485 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.3 m -95.51 19.71 10.59 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.142 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.66 134.73 54.84 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.224 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.0 m -134.45 15.73 3.72 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.467 -172.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.19 141.86 57.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.642 0.258 . . . . 0.0 110.915 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.31 122.32 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 120.847 0.356 . . . . 0.0 110.409 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.39 133.42 11.82 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.115 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.06 -17.01 64.42 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 122.865 -0.197 . . . . 0.0 111.197 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.24 163.02 39.82 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.842 0.353 . . . . 0.0 110.491 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -57.59 -41.13 80.59 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.326 -176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.4 p -57.09 -46.56 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.419 0.152 . . . . 0.0 111.198 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.95 -34.51 77.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.262 -175.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -70.14 -48.06 59.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.614 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.75 -41.82 91.85 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.85 0.357 . . . . 0.0 110.815 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.88 -43.63 95.44 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.91 -41.7 98.22 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.77 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.86 -45.03 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.052 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.82 78.41 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.075 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.35 -28.64 19.68 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.77 -20.87 12.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -169.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -131.31 7.83 4.61 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -139.73 11.85 2.48 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 120.704 0.288 . . . . 0.0 110.997 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 178.607 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C4'-C3'-C2' 99.394 -3.306 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.183 -3.517 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.952 -3.748 . 0.902 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.797 -2.903 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 O5'-C5'-C4' 115.641 3.887 . 0.314 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.796 1 O4'-C4'-C3' 111.231 4.093 . 0.653 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 123.845 3.454 . 0.584 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C3'-C2'-C1' 97.765 -4.15 . 0.68 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 98.983 -3.717 . 0.713 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 0 C4'-C3'-C2' 99.533 -3.167 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 C5'-C4'-O4' 114.236 3.597 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.026 0 C5'-C4'-O4' 113.606 3.147 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.492 0 O5'-C5'-C4' 113.575 2.411 . 0.176 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.513 1 C5'-C4'-C3' 108.703 -4.532 . 0.283 4s . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 1 C5'-C4'-O4' 116.086 4.919 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 1 C4'-C3'-C2' 98.543 -4.157 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.111 1 C4'-C3'-C2' 98.193 -4.507 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.422 0 C4'-C3'-C2' 99.064 -3.636 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 0 C4'-C3'-C2' 98.996 -3.704 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 C4'-C3'-C2' 98.356 -4.344 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 C4'-C3'-C2' 98.345 -4.355 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 100.278 -2.422 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 1 C5'-C4'-C3' 109.191 -4.206 . 0.754 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-O4' 113.977 3.412 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.903 1 C3'-C2'-C1' 95.732 -6.409 . 0.506 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 C4'-C3'-C2' 99.204 -3.496 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 P-O3'-C3' 124.449 3.957 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.797 0 C4'-C3'-C2' 99.732 -2.968 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 C4'-C3'-C2' 99.081 -3.619 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 0 C4'-C3'-C2' 98.967 -3.733 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.329 0 C5'-C4'-O4' 112.762 2.544 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.199 -3.501 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C3'-C2'-C1' 102.839 1.488 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.539 0 O5'-C5'-C4' 112.65 1.75 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 O5'-C5'-C4' 113.944 2.674 . 0.729 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 P-O3'-C3' 123.054 2.795 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.003 1 C4'-C3'-C2' 96.918 -5.782 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.485 1 C5'-C4'-O4' 115.322 4.373 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 C4'-C3'-C2' 98.122 -4.578 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.982 0 O5'-C5'-C4' 115.684 3.917 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.015 0 C4'-C3'-C2' 99.323 -3.377 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 100.812 -1.888 . 0.925 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 P-O3'-C3' 123.066 2.805 . 0.177 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.548 -3.152 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C4'-C3'-C2' 99.049 -3.651 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 98.738 -3.962 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 1 C4'-C3'-C2' 98.67 -4.03 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 98.715 -3.985 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.749 1 C4'-C3'-C2' 98.551 -4.149 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 C4'-C3'-C2' 99.369 -3.331 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 O4'-C4'-C3' 109.597 2.926 . 0.567 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.716 0 O5'-C5'-C4' 114.435 3.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.825 -3.875 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.963 -3.737 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.862 -2.838 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 CA-C-O 120.755 0.312 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -109.16 124.09 50.27 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.35 139.09 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.612 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.91 128.95 34.74 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.507 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -111.1 24.33 13.02 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.36 154.74 23.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.23 114.73 2.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -171.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.65 15.18 8.16 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.678 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.6 t -84.79 -78.94 0.23 Allowed 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 120.69 0.281 . . . . 0.0 111.005 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.2 78.91 Favored Glycine 0 CA--C 1.555 2.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 113.508 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -70.33 143.58 51.94 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.447 0.623 . . . . 0.0 110.656 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.58 137.32 54.93 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.803 0.335 . . . . 0.0 111.216 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -126.18 156.85 39.52 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.284 -174.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.3 -39.56 92.67 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.06 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -134.67 148.64 50.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -62.9 -28.65 70.2 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.483 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -63.95 -33.72 76.35 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 122.428 -0.17 . . . . 0.0 110.947 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -73.0 -36.42 67.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.66 0.266 . . . . 0.0 110.814 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.11 -47.1 86.13 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -58.5 -40.69 83.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.682 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 t -59.39 -41.22 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -70.09 -45.01 67.87 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.181 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -66.3 -31.74 72.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.278 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.78 54.81 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.909 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.29 -46.47 70.23 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 122.474 -0.141 . . . . 0.0 111.262 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.39 83.94 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.092 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.2 p -82.91 -19.53 37.13 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.992 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 30.37 18.3 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 123.292 0.637 . . . . 0.0 111.999 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -128.92 156.25 44.02 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 169.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -95.39 132.13 28.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.171 -170.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.83 -36.1 0.86 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.559 2.173 . . . . 0.0 113.306 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.37 97.11 7.9 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.528 -169.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.58 138.43 40.94 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.3 t -73.87 121.29 84.81 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.413 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.98 4.88 3.72 Favored 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 122.847 2.365 . . . . 0.0 113.27 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -64.96 147.12 54.01 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.928 0.394 . . . . 0.0 111.121 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.39 120.67 13.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 91.88 -0.84 73.67 Favored Glycine 0 CA--C 1.545 1.955 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.639 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.6 t -110.53 155.14 22.71 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.85 0.357 . . . . 0.0 110.654 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -148.4 14.47 0.98 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 142.89 58.24 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 120.845 0.355 . . . . 0.0 110.682 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -134.59 149.71 50.63 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.11 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -133.06 158.5 42.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.396 -169.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.9 p -84.45 -27.17 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.421 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.37 155.88 79.37 Favored Pre-proline 0 N--CA 1.482 1.138 0 C-N-CA 122.289 0.236 . . . . 0.0 110.656 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 17.9 Cg_endo -66.57 -36.14 26.89 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.284 1.989 . . . . 0.0 112.123 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.4 m -62.34 -34.39 76.56 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.714 0.292 . . . . 0.0 111.069 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -73.09 -36.86 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.959 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.73 -44.99 76.31 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.656 0.265 . . . . 0.0 110.66 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -57.12 -36.51 70.75 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 120.606 0.241 . . . . 0.0 110.812 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.32 -43.45 77.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.861 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -58.98 -34.02 71.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.321 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.57 -31.3 67.88 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 122.347 -0.221 . . . . 0.0 110.949 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -59.67 -26.63 65.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.099 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.77 -40.75 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 120.651 0.262 . . . . 0.0 110.833 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -77.21 -35.03 55.96 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.234 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.02 64.72 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 120.609 0.243 . . . . 0.0 111.102 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.26 174.86 47.65 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 112.661 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -124.28 94.73 44.66 Favored Pre-proline 0 C--O 1.235 0.311 0 C-N-CA 122.605 0.362 . . . . 0.0 110.353 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.31 141.36 16.03 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.307 2.004 . . . . 0.0 112.385 -174.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.46 140.61 48.37 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 12.16 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.421 174.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.91 -22.27 65.96 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.167 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.59 147.04 26.95 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.88 -29.35 69.77 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -96.39 19.12 12.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.607 0.242 . . . . 0.0 111.217 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.72 131.53 56.15 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 69.0 p -134.04 14.67 3.9 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -172.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.99 142.43 51.18 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.817 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 120.24 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.887 0.375 . . . . 0.0 110.295 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.63 133.13 11.6 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.047 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -15.5 61.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 122.755 -0.262 . . . . 0.0 111.374 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.96 163.23 39.7 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.755 0.312 . . . . 0.0 110.341 176.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -57.21 -40.35 77.3 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.5 p -57.94 -47.97 81.32 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.32 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.21 -34.59 76.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.223 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.86 -47.99 60.55 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.563 0.221 . . . . 0.0 110.738 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.04 -41.34 92.06 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.987 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -64.03 -42.87 96.96 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.89 -42.1 98.68 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.683 0.278 . . . . 0.0 110.763 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.97 -45.01 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.061 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.68 -33.46 75.68 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.004 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.27 -26.77 20.99 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.02 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 4.4 t -113.16 -21.68 10.9 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -131.22 5.52 4.46 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -139.2 16.48 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 120.691 0.281 . . . . 0.0 111.12 176.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.6 t70 . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 121.005 0.431 . . . . 0.0 110.763 177.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.22 0 C4'-C3'-C2' 99.192 -3.508 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.4 -3.3 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 98.779 -3.921 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.722 -2.978 . 0.947 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 0 O5'-C5'-C4' 115.644 3.889 . 0.305 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.68 0 O4'-C4'-C3' 110.851 3.822 . 0.654 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 P-O3'-C3' 124.214 3.762 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 C3'-C2'-C1' 97.517 -4.426 . 0.684 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 98.902 -3.798 . 0.692 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.142 0 C4'-C3'-C2' 99.371 -3.329 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 99.295 -3.405 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.86 0 C5'-C4'-C3' 110.953 -3.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 O5'-C5'-C4' 113.442 2.315 . 0.157 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 114.39 2.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 C5'-C4'-C3' 107.356 -5.429 . 0.058 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 C4'-C3'-C2' 99.356 -3.344 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 1 C4'-C3'-C2' 98.218 -4.482 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.611 0 C4'-C3'-C2' 99.254 -3.446 . 0.937 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.201 1 C4'-C3'-C2' 98.563 -4.137 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.114 -4.586 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 98.753 -3.947 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 100.134 -2.566 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-C3' 109.731 -3.846 . 0.64 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C5'-C4'-O4' 114.129 3.521 . 0.322 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.231 1 C3'-C2'-C1' 97.442 -4.509 . 0.412 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.658 2 C5'-C4'-O4' 115.758 4.684 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 P-O3'-C3' 124.042 3.618 . 0.734 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.657 0 C4'-C3'-C2' 99.891 -2.809 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 C4'-C3'-C2' 99.147 -3.553 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.803 0 C4'-C3'-C2' 98.971 -3.729 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.209 0 C5'-C4'-O4' 112.781 2.558 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C4'-C3'-C2' 99.187 -3.513 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.128 0 C3'-C2'-C1' 102.886 1.54 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 O5'-C5'-C4' 112.816 1.869 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 O5'-C5'-C4' 113.959 2.685 . 0.729 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 P-O3'-C3' 123.075 2.813 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.055 1 C4'-C3'-C2' 96.905 -5.795 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 1 C5'-C4'-O4' 115.339 4.385 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 C4'-C3'-C2' 98.158 -4.542 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.748 0 C4'-C3'-C2' 99.135 -3.565 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 99.706 -2.994 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 100.86 -1.84 . 0.942 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.867 0 P-O3'-C3' 123.158 2.881 . 0.177 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.96 0 C4'-C3'-C2' 99.568 -3.132 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 98.826 -3.874 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 C4'-C3'-C2' 98.677 -4.023 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 98.769 -3.931 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 98.888 -3.812 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 1 C4'-C3'-C2' 98.43 -4.27 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 0 C4'-C3'-C2' 99.155 -3.545 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.358 0 O4'-C4'-C3' 109.496 2.855 . 0.672 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 0 O5'-C5'-C4' 115.176 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 1 C4'-C3'-C2' 98.686 -4.014 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.997 0 C4'-C3'-C2' 98.986 -3.714 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.951 -2.749 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 120.841 0.353 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.04 123.04 48.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.309 -176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.4 139.11 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.657 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.0 t -77.59 129.45 35.64 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.447 171.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -111.49 24.52 12.69 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.869 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.11 25.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.0 114.75 2.06 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.884 0.374 . . . . 0.0 111.222 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.1 t30 69.75 15.16 8.06 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.69 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.28 -78.87 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.679 0.276 . . . . 0.0 110.967 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.53 14.44 77.53 Favored Glycine 0 CA--C 1.553 2.459 0 CA-C-N 116.368 -0.378 . . . . 0.0 113.375 174.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -70.27 143.04 52.22 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 117.528 0.664 . . . . 0.0 110.608 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.27 137.86 54.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -173.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -126.09 151.1 47.66 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.061 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.478 ' HG2' ' HZ2' ' A' ' 118' ' ' LYS . 26.2 ttpt -63.84 -34.43 77.91 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.497 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 30.1 mmtm -137.0 147.44 46.26 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.861 0.362 . . . . 0.0 111.312 -174.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -63.92 -28.84 70.1 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.637 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -63.94 -34.81 78.81 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 122.406 -0.183 . . . . 0.0 110.994 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.16 -36.11 66.56 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.629 0.252 . . . . 0.0 110.707 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.11 -47.17 87.01 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 120.676 0.274 . . . . 0.0 110.457 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.59 -43.79 84.91 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.656 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.69 -41.09 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.947 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.41 -45.07 73.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.551 0.215 . . . . 0.0 111.145 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.06 -31.81 73.21 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.471 0.176 . . . . 0.0 111.349 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.82 53.84 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.828 175.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -67.91 -47.0 69.99 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.393 -0.192 . . . . 0.0 111.327 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.16 -36.43 84.04 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.805 0.336 . . . . 0.0 111.065 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.7 p -81.79 -18.42 44.16 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.99 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.81 32.35 17.45 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.336 0.654 . . . . 0.0 111.843 -175.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.25 155.79 45.71 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.7 mt -95.61 132.58 27.16 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 120.656 0.265 . . . . 0.0 111.139 -169.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -79.09 -36.78 0.65 Allowed 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.56 2.174 . . . . 0.0 113.265 -171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.528 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 84.8 m-85 -99.48 93.64 5.99 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.482 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -100.88 142.52 32.23 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.91 0.386 . . . . 0.0 111.031 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.89 122.99 88.9 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.513 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.68 4.22 3.49 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 122.811 2.341 . . . . 0.0 113.439 -171.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -70.43 150.89 45.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.997 0.427 . . . . 0.0 111.014 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.35 134.61 52.94 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 80.37 2.62 89.52 Favored Glycine 0 CA--C 1.55 2.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.733 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -118.93 152.17 36.81 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.834 0.35 . . . . 0.0 110.704 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.24 15.9 0.82 Allowed 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.276 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -65.02 148.19 52.1 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.705 0.288 . . . . 0.0 110.646 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -134.5 151.89 51.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.05 160.12 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.09 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.4 p -86.2 -18.35 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.1 mt -140.47 153.04 68.0 Favored Pre-proline 0 N--CA 1.472 0.663 0 CA-C-O 120.764 0.316 . . . . 0.0 111.098 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 27.6 Cg_endo -66.98 -33.79 31.34 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.716 2.277 . . . . 0.0 112.409 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.0 p -63.8 -37.45 87.42 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -72.44 -39.13 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.987 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.57 -45.73 91.56 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.16 -38.37 79.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.944 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.26 -40.61 81.86 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.856 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -61.0 -33.89 73.94 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -58.41 -31.08 67.38 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 110.695 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.35 -25.74 64.47 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.084 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.78 -42.79 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-O 120.609 0.242 . . . . 0.0 110.47 175.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.05 -30.73 55.77 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.324 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -28.92 64.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.48 169.92 37.44 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.295 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.07 94.73 45.05 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.87 144.93 13.95 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.45 2.1 . . . . 0.0 112.634 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 140.7 49.96 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.111 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -142.04 12.3 2.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.538 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -68.27 -23.0 64.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.15 145.3 26.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.802 0.334 . . . . 0.0 110.722 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -27.13 67.55 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.53 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.6 m -97.25 20.43 11.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.311 0.244 . . . . 0.0 111.128 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.5 t -116.53 134.48 54.8 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.223 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.2 m -133.7 16.32 3.96 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.504 -172.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.72 140.3 57.58 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.666 0.269 . . . . 0.0 110.83 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.31 123.62 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.424 170.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.7 140.35 15.91 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 121.276 -0.487 . . . . 0.0 112.113 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -67.63 -19.96 65.28 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 122.873 -0.193 . . . . 0.0 111.078 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.19 162.61 39.65 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.644 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -57.15 -40.5 77.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.387 -175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.9 p -57.6 -46.02 84.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.079 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.75 -36.04 81.77 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.258 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -68.84 -48.04 64.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.64 0.257 . . . . 0.0 110.686 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.09 -39.64 90.71 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -63.99 -43.14 96.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.98 -42.79 99.53 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.795 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -62.83 -45.06 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.153 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.71 72.94 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.907 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -89.32 -31.02 18.01 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.057 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 79.5 m -110.4 -19.85 12.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -169.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -132.57 10.07 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -144.3 173.03 12.12 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.826 0.346 . . . . 0.0 110.685 176.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.851 179.651 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.394 0 C4'-C3'-C2' 99.306 -3.394 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 99.282 -3.418 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C4'-C3'-C2' 99.33 -3.37 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C3'-C2'-C1' 103.822 2.58 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -2.593 0 O3'-P-O5' 108.88 2.568 . 0.279 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 0 O4'-C4'-C3' 110.593 3.638 . 0.582 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 P-O3'-C3' 123.989 3.574 . 0.571 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 1 C3'-C2'-C1' 97.638 -4.291 . 0.651 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C4'-C3'-C2' 99.141 -3.559 . 0.698 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.911 0 C4'-C3'-C2' 99.94 -2.76 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 1 C5'-C4'-O4' 115.145 4.247 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.712 0 C5'-C4'-C3' 110.055 -3.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.519 0 C3'-C2'-C1' 99.722 -1.975 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.325 0 C5'-C4'-C3' 110.604 -3.264 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 0 C5'-C4'-O4' 113.986 3.419 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C4'-C3'-C2' 98.848 -3.852 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 1 C4'-C3'-C2' 98.288 -4.412 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C4'-C3'-C2' 99.065 -3.635 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.946 0 C4'-C3'-C2' 98.938 -3.762 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 C4'-C3'-C2' 98.498 -4.202 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 1 C4'-C3'-C2' 98.263 -4.437 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C5'-C4'-O4' 114.408 3.72 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C5'-C4'-C3' 110.468 -3.355 . 0.58 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C5'-C4'-O4' 112.679 2.485 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.497 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 2.04 0 C3'-C2'-C1' 98.455 -3.383 . 0.615 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.331 3 C5'-C4'-O4' 117.011 5.579 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.063 0 P-O3'-C3' 123.959 3.549 . 0.713 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.712 0 C4'-C3'-C2' 100.011 -2.689 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C4'-C3'-C2' 99.232 -3.468 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.026 -3.674 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 C5'-C4'-O4' 112.796 2.569 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C4'-C3'-C2' 99.357 -3.343 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.004 0 C3'-C2'-C1' 102.967 1.63 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.529 0 O5'-C5'-C4' 112.756 1.826 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O5'-C5'-C4' 113.927 2.662 . 0.724 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 P-O3'-C3' 123.066 2.805 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 1 C4'-C3'-C2' 96.869 -5.831 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C5'-C4'-O4' 115.357 4.398 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 1 C4'-C3'-C2' 98.228 -4.472 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.687 0 C4'-C3'-C2' 98.921 -3.779 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 C4'-C3'-C2' 99.569 -3.131 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.941 0 C4'-C3'-C2' 100.843 -1.857 . 0.947 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.209 0 P-O3'-C3' 123.219 2.932 . 0.157 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.002 0 C4'-C3'-C2' 99.616 -3.084 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 98.92 -3.78 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 1 C4'-C3'-C2' 98.515 -4.185 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 1 C4'-C3'-C2' 98.681 -4.019 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.919 0 C4'-C3'-C2' 98.767 -3.933 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.739 1 C4'-C3'-C2' 98.666 -4.034 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.966 0 C4'-C3'-C2' 99.524 -3.176 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 O4'-C4'-C3' 109.552 2.894 . 0.638 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.666 0 C5'-C4'-C3' 110.417 -3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C4'-C3'-C2' 98.928 -3.772 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 0 C4'-C3'-C2' 99.088 -3.612 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C4'-C3'-C2' 100.035 -2.665 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 120.863 0.363 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -109.19 122.78 48.05 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.312 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.6 139.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.634 -169.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.4 127.64 32.9 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.482 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.71 23.93 13.75 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.35 153.87 25.55 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 170.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.95 114.68 2.02 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 69.71 15.09 8.1 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.727 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.82 -78.43 0.23 Allowed 'General case' 0 CA--C 1.563 1.467 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.97 13.21 79.23 Favored Glycine 0 CA--C 1.553 2.464 0 CA-C-N 116.35 -0.387 . . . . 0.0 113.433 174.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -70.48 143.27 51.78 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.462 0.631 . . . . 0.0 110.555 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.08 137.24 54.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.977 0.418 . . . . 0.0 111.104 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -126.1 151.34 47.35 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.066 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.471 ' HG2' ' HZ3' ' A' ' 118' ' ' LYS . 27.7 ttpt -62.92 -34.03 76.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.091 177.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.471 ' HZ3' ' HG2' ' A' ' 117' ' ' LYS . 29.5 mmtm -137.16 148.72 46.79 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.38 -172.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -65.33 -28.72 69.5 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.523 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.38 -38.74 92.08 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.506 0.194 . . . . 0.0 110.797 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -72.97 -34.1 66.27 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.667 0.27 . . . . 0.0 110.639 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.67 -47.08 85.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -61.86 -37.33 84.1 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.722 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.52 -41.2 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 175.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -68.31 -44.93 74.3 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.644 0.259 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -64.47 -31.74 73.08 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.362 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -28.81 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 116.804 -0.18 . . . . 0.0 110.799 175.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.1 t -67.77 -47.14 70.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.264 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.06 -36.37 83.78 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.002 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.7 p -81.66 -18.0 46.08 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.12 32.72 16.33 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.306 0.642 . . . . 0.0 111.942 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -130.6 156.15 45.35 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.79 132.01 26.89 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.147 -169.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -79.91 -38.67 0.34 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.501 2.134 . . . . 0.0 113.304 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.559 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.6 m-85 -93.66 93.41 8.02 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.491 -170.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.01 143.12 28.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.776 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 39.6 t -74.03 121.12 84.45 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.349 175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -88.62 4.25 5.57 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.27 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -63.95 143.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.988 0.423 . . . . 0.0 111.044 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.68 113.94 5.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -0.67 55.33 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.547 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.4 t -106.87 157.63 17.62 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.799 0.333 . . . . 0.0 110.655 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 11.52 0.91 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.445 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.05 146.73 54.02 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.754 0.311 . . . . 0.0 110.665 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 36.9 mtp85 -135.04 150.84 50.36 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.491 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -134.02 159.18 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -169.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -85.61 -19.54 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.542 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.67 153.77 58.59 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.559 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.2 Cg_endo -64.68 -24.97 61.8 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.4 p -66.53 -40.98 89.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.536 0.335 . . . . 0.0 111.217 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.03 -35.27 66.72 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.082 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.91 -44.2 90.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.653 0.263 . . . . 0.0 110.55 171.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -54.89 -44.67 74.33 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.892 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -40.52 91.5 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.752 176.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.15 -39.21 91.85 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.501 0.191 . . . . 0.0 111.277 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -31.51 68.3 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.579 0.228 . . . . 0.0 110.823 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -59.73 -25.84 65.16 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.152 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -42.58 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.736 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -76.94 -30.17 55.94 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.283 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.06 65.04 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.71 174.93 50.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.554 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.18 94.84 44.69 Favored Pre-proline 0 C--O 1.237 0.438 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.83 142.42 15.83 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.356 2.037 . . . . 0.0 112.338 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.7 t -73.65 142.48 46.48 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -142.74 13.23 1.9 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.569 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.68 -22.65 65.28 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.6 144.83 25.52 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.873 0.368 . . . . 0.0 110.686 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.75 -26.46 67.74 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.467 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.0 m -97.65 20.31 12.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.259 0.223 . . . . 0.0 111.132 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 13.0 t -115.14 134.51 55.1 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.26 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.7 m -134.05 16.51 3.83 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.437 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.33 141.7 58.16 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.648 0.261 . . . . 0.0 110.883 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.35 122.37 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 120.884 0.373 . . . . 0.0 110.266 170.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.86 131.45 10.4 Favored Glycine 0 N--CA 1.471 0.999 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.054 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -64.11 -18.04 64.03 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 120.617 0.246 . . . . 0.0 111.238 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 161.43 42.1 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.82 0.343 . . . . 0.0 110.337 176.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -58.2 -39.87 80.11 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.345 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.1 p -56.94 -47.4 80.75 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.497 0.189 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.94 -34.57 76.35 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.273 -175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.05 -48.04 59.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.59 0.234 . . . . 0.0 110.56 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 53.1 mt -60.19 -41.47 93.01 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -69.93 -36.86 75.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.546 0.213 . . . . 0.0 110.714 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.74 -44.99 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.04 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.21 -31.7 73.0 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.13 -176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -89.17 -36.6 15.59 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.716 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.1 t -101.24 -22.65 14.59 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -169.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -131.39 36.6 3.77 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.71 67.39 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 CA--C 1.545 0.762 0 CA-C-O 121.047 0.451 . . . . 0.0 110.755 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 99.302 -3.398 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C4'-C3'-C2' 99.338 -3.362 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 1 C4'-C3'-C2' 98.683 -4.017 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.172 -3.528 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.015 0 O5'-C5'-C4' 114.211 2.865 . 0.332 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 0 C3'-C2'-C1' 105.05 3.945 . 0.693 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O5'-C5'-C4' 114.451 3.037 . 0.549 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 1 C3'-C2'-C1' 97.21 -4.767 . 0.643 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.289 -3.411 . 0.705 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.923 0 C4'-C3'-C2' 99.646 -3.054 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 C5'-C4'-O4' 115.211 4.294 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.69 0 C5'-C4'-C3' 110.065 -3.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.53 0 C4'-C3'-C2' 100.867 -1.833 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C5'-C4'-C3' 110.386 -3.409 . 0.0 OUTLIER '7D dist 4s' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.928 0 C5'-C4'-C3' 109.728 -3.848 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 0 C4'-C3'-C2' 98.985 -3.715 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.992 1 C4'-C3'-C2' 98.515 -4.185 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 0 C4'-C3'-C2' 99.843 -2.857 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.207 0 C5'-C4'-O4' 114.368 3.691 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 C4'-C3'-C2' 98.833 -3.867 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 1 C4'-C3'-C2' 98.596 -4.104 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-O4' 114.614 3.867 . 0.449 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 C5'-C4'-C3' 110.447 -3.369 . 0.557 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-O4' 112.837 2.598 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.468 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 1.974 0 C3'-C2'-C1' 98.437 -3.404 . 0.605 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.381 3 C5'-C4'-O4' 116.879 5.485 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 P-O3'-C3' 123.753 3.378 . 0.721 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.747 0 C4'-C3'-C2' 99.865 -2.835 . 0.484 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 C4'-C3'-C2' 99.139 -3.561 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.894 0 C4'-C3'-C2' 98.926 -3.774 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C5'-C4'-O4' 112.822 2.587 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 99.315 -3.385 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.164 0 C4'-C3'-O3' 114.546 1.518 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.639 0 C4'-C3'-C2' 100.712 -1.988 . 0.067 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.708 2.506 . 0.732 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 P-O3'-C3' 123.235 2.946 . 0.364 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.019 1 C4'-C3'-C2' 96.967 -5.733 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.395 1 C5'-C4'-O4' 115.435 4.454 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 1 C4'-C3'-C2' 98.284 -4.416 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.677 0 C4'-C3'-C2' 99.513 -3.187 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 C4'-C3'-C2' 99.438 -3.262 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.972 0 C4'-C3'-C2' 100.737 -1.963 . 0.934 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.124 0 O5'-C5'-C4' 114.288 2.92 . 0.157 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 C4'-C3'-C2' 99.722 -2.978 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.016 -3.684 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 C4'-C3'-C2' 98.571 -4.129 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 C4'-C3'-C2' 98.499 -4.201 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 98.867 -3.833 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.75 1 C4'-C3'-C2' 98.598 -4.102 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.846 0 C4'-C3'-C2' 99.244 -3.456 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 O4'-C4'-C3' 109.807 3.076 . 0.576 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.566 0 C5'-C4'-C3' 110.467 -3.355 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 98.851 -3.849 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 98.894 -3.806 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 99.805 -2.895 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.723 0 CA-C-O 120.774 0.321 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -109.11 122.14 46.64 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.263 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.96 139.08 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.872 -168.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.48 130.12 35.67 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.493 170.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -112.34 24.25 12.76 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.37 152.95 28.11 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.92 114.76 2.05 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 111.319 -171.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.83 15.07 7.98 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.726 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.75 -78.82 0.24 Allowed 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 120.705 0.288 . . . . 0.0 111.039 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.11 78.69 Favored Glycine 0 CA--C 1.552 2.405 0 CA-C-N 116.409 -0.36 . . . . 0.0 113.448 173.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -70.89 143.66 50.92 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.471 0.635 . . . . 0.0 110.693 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.47 136.63 54.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.857 0.361 . . . . 0.0 111.14 -173.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -126.19 155.67 41.4 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.146 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -31.92 58.84 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -124.04 146.57 48.47 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 120.778 0.323 . . . . 0.0 111.07 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -65.37 -28.63 69.41 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.531 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.99 -32.42 73.95 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 122.327 -0.233 . . . . 0.0 110.902 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -71.89 -37.84 70.08 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.523 0.202 . . . . 0.0 110.634 171.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -47.1 88.0 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.32 -43.57 83.43 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.662 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.4 -41.29 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.003 176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -68.79 -44.61 73.22 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.099 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.12 -36.42 81.7 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -54.95 -33.26 62.13 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 176.085 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -63.76 -34.95 79.03 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 122.454 -0.154 . . . . 0.0 111.409 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.78 -36.25 59.85 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 44.4 p -80.81 -20.84 41.61 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 53.25 30.84 10.62 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.392 0.677 . . . . 0.0 112.013 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -124.63 145.52 49.59 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 44.5 mt -91.98 130.83 36.97 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-O 120.822 0.344 . . . . 0.0 111.417 -168.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -77.2 -35.7 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.661 2.241 . . . . 0.0 113.149 -171.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.525 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -98.16 91.33 5.21 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.393 -170.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -94.81 141.57 28.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.86 120.16 79.85 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -92.74 5.87 3.21 Favored 'Trans proline' 0 CA--C 1.55 1.316 0 C-N-CA 122.811 2.341 . . . . 0.0 113.274 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -73.78 147.67 43.23 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.01 0.433 . . . . 0.0 111.066 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.21 126.85 29.06 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.48 79.41 Favored Glycine 0 CA--C 1.545 1.951 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.739 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -115.24 152.87 31.91 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -143.58 17.2 1.84 Allowed 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 146.89 53.32 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.821 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -137.09 149.89 47.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 120.826 0.346 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -134.05 157.8 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.114 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 p -83.86 -27.19 28.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.488 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -132.19 156.94 79.5 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 122.369 0.267 . . . . 0.0 110.354 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.525 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 28.5 Cg_endo -66.94 -27.56 42.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.349 2.033 . . . . 0.0 112.287 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.5 p -61.89 -43.04 99.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.704 0.288 . . . . 0.0 110.988 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -39.44 83.93 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp -67.02 -47.17 72.25 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.707 0.289 . . . . 0.0 110.87 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -58.94 -37.29 76.37 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -72.45 -37.49 68.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.989 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -63.16 -33.97 76.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.301 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.57 -30.33 67.07 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.578 0.227 . . . . 0.0 110.777 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.39 -25.8 64.58 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.201 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.79 -42.48 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.732 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -76.87 -28.23 55.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.166 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.682 0.277 . . . . 0.0 110.837 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.53 173.43 48.19 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.512 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.11 94.64 45.11 Favored Pre-proline 0 C--O 1.236 0.381 0 C-N-CA 122.482 0.313 . . . . 0.0 110.237 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.92 140.0 12.45 Favored 'Trans proline' 0 N--CA 1.443 -1.455 0 C-N-CA 122.265 1.977 . . . . 0.0 112.226 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 t -70.87 141.71 51.22 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -142.97 12.44 1.83 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.421 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.01 -22.9 65.88 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -149.21 145.0 26.91 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 -28.11 69.48 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.383 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -93.41 13.99 19.92 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.429 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.71 158.02 15.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 120.676 0.274 . . . . 0.0 110.322 173.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.6 p -152.23 6.79 0.44 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.25 141.21 58.71 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.699 0.285 . . . . 0.0 110.984 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.26 122.17 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 169.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.06 134.13 12.37 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.092 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.83 -16.28 64.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 122.847 -0.208 . . . . 0.0 111.235 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 163.09 39.53 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 120.869 0.366 . . . . 0.0 110.503 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -57.67 -41.5 81.69 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.285 -175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.7 p -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.449 0.166 . . . . 0.0 111.219 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.93 -36.0 80.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.286 -175.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -69.24 -47.98 63.18 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.56 0.219 . . . . 0.0 110.598 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.72 -40.67 88.74 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.689 0.28 . . . . 0.0 110.988 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -66.01 -42.39 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.043 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -61.9 -42.06 98.63 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.705 0.288 . . . . 0.0 110.559 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 8.1 t -62.91 -45.03 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.048 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.63 84.01 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.069 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.26 -22.64 22.61 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.13 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -116.99 -21.59 8.85 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.75 6.66 4.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.32 15.57 2.59 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.63 0.252 . . . . 0.0 110.993 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 120.968 0.413 . . . . 0.0 110.77 177.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.976 0 C4'-C3'-C2' 99.849 -2.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.592 -3.108 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.122 -3.578 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.299 0 C3'-C2'-C1' 103.841 2.601 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 1 O5'-C5'-C4' 116.24 4.314 . 0.312 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.698 0 O4'-C4'-C3' 110.614 3.653 . 0.688 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C4'-C3'-C2' 99.655 -3.045 . 0.607 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 C3'-C2'-C1' 97.7 -4.223 . 0.669 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.36 -3.34 . 0.686 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 C4'-C3'-C2' 99.743 -2.957 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C5'-C4'-O4' 114.486 3.775 . 0.218 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 C5'-C4'-C3' 110.45 -3.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.511 0 O5'-C5'-C4' 113.041 2.03 . 0.158 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.369 0 C3'-C2'-C1' 103.916 2.685 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.881 1 C5'-C4'-C3' 108.235 -4.843 . 0.436 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.036 -3.664 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.966 1 C4'-C3'-C2' 98.263 -4.437 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.389 0 C4'-C3'-C2' 99.097 -3.603 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 98.739 -3.961 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 C4'-C3'-C2' 98.377 -4.323 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 98.733 -3.967 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 C4'-C3'-C2' 100.435 -2.265 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 1 C5'-C4'-C3' 109.006 -4.329 . 0.763 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C5'-C4'-O4' 114.149 3.535 . 0.407 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.981 1 C3'-C2'-C1' 95.909 -6.212 . 0.487 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.643 0 C4'-C3'-C2' 99.014 -3.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 P-O3'-C3' 124.669 4.141 . 0.732 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.716 0 C4'-C3'-C2' 100.006 -2.694 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 C4'-C3'-C2' 99.303 -3.397 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.08 -3.62 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 C5'-C4'-O4' 112.866 2.619 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C4'-C3'-C2' 99.25 -3.45 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 C3'-C2'-C1' 102.919 1.577 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 0 O5'-C5'-C4' 112.681 1.772 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O5'-C5'-C4' 113.892 2.637 . 0.726 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 P-O3'-C3' 123.023 2.769 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.033 1 C4'-C3'-C2' 96.882 -5.818 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 1 C5'-C4'-O4' 115.258 4.327 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 1 C4'-C3'-C2' 98.277 -4.423 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 C4'-C3'-C2' 98.955 -3.745 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C4'-C3'-C2' 99.585 -3.115 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C4'-C3'-C2' 100.869 -1.831 . 0.954 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.955 0 P-O3'-C3' 123.152 2.877 . 0.182 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 0 C4'-C3'-C2' 99.404 -3.296 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.012 -3.688 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 98.861 -3.839 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 98.779 -3.921 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C4'-C3'-C2' 98.87 -3.83 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.792 1 C4'-C3'-C2' 98.553 -4.147 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.013 0 C4'-C3'-C2' 99.361 -3.339 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 O4'-C4'-C3' 109.511 2.865 . 0.645 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.776 0 C5'-C4'-C3' 109.781 -3.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 98.829 -3.871 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 C4'-C3'-C2' 99.1 -3.6 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 99.956 -2.744 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 120.847 0.355 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.15 123.38 49.11 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.14 139.02 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.664 -169.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.9 t -77.85 128.02 33.31 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.481 171.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -110.18 24.25 13.25 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.91 153.93 27.71 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.88 114.73 2.02 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -172.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.08 8.06 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.51 -78.94 0.25 Allowed 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 120.739 0.304 . . . . 0.0 110.935 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.39 15.97 77.26 Favored Glycine 0 CA--C 1.553 2.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.459 174.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -70.26 142.68 52.28 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.467 0.634 . . . . 0.0 110.599 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.41 136.88 54.99 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.933 0.397 . . . . 0.0 111.194 -173.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.21 156.13 40.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.951 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HG2' ' HZ2' ' A' ' 118' ' ' LYS . 29.3 tttp -61.45 -44.39 97.2 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.011 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.517 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 18.8 mttp -139.17 155.74 47.62 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -171.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -63.75 -28.65 70.03 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.12 -169.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.8 85.08 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 122.285 -0.259 . . . . 0.0 110.696 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.01 -35.74 66.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.766 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.15 -47.2 85.6 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.59 0.233 . . . . 0.0 110.552 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -61.02 -38.64 86.81 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.73 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.0 t -60.22 -41.31 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 175.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -69.14 -44.98 71.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.244 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -65.82 -31.77 72.92 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.426 0.155 . . . . 0.0 111.291 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.8 54.92 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.103 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.6 p -69.63 -40.83 76.32 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.379 -0.201 . . . . 0.0 111.399 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.73 -36.42 78.4 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -82.29 -18.79 41.1 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.0 30.54 16.34 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.331 0.652 . . . . 0.0 111.978 -176.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -128.94 157.08 42.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.391 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.9 mt -96.5 131.19 28.82 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 120.644 0.259 . . . . 0.0 111.316 -169.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -78.63 -37.5 0.65 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.5 2.133 . . . . 0.0 113.326 -170.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -96.72 95.48 7.95 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.866 0.365 . . . . 0.0 110.623 -169.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.23 142.93 29.29 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.37 122.09 86.1 Favored Pre-proline 0 CA--C 1.564 1.486 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -91.42 5.17 3.92 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.862 2.375 . . . . 0.0 113.23 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -63.77 143.66 57.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.37 107.44 2.42 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.94 -1.55 33.67 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.523 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -112.43 157.49 20.99 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -149.85 13.01 0.79 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.56 -176.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -66.57 149.1 50.97 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.744 0.307 . . . . 0.0 110.808 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -133.29 152.19 51.92 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 64.6 m-85 -134.1 163.99 28.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.414 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.6 m -84.99 -25.31 27.82 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.696 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.3 mt -136.73 154.78 76.71 Favored Pre-proline 0 N--CA 1.473 0.702 0 CA-C-O 120.692 0.282 . . . . 0.0 111.015 -176.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.5 Cg_endo -66.08 -34.97 35.64 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.527 2.151 . . . . 0.0 112.162 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 89.1 p -64.7 -34.28 77.93 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.005 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -39.15 67.46 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.8 tp -66.18 -45.38 81.07 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.759 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.83 -39.18 77.07 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -68.97 -37.72 78.96 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.898 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 79.6 t60 -63.37 -38.78 92.48 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.48 0.181 . . . . 0.0 111.112 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.75 -31.28 68.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.611 0.243 . . . . 0.0 110.609 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -59.63 -25.7 64.88 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.075 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.71 -42.38 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.35 -30.96 57.83 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.178 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.91 -29.08 65.04 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 120.644 0.259 . . . . 0.0 111.08 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.28 168.45 38.85 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 112.411 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.05 144.92 15.2 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.43 2.087 . . . . 0.0 112.493 -172.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -71.75 140.16 49.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.022 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.69 12.02 2.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.466 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -68.26 -21.88 64.79 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.21 143.8 25.22 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.29 -27.67 68.79 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.358 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 63.9 m -98.27 16.86 20.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.272 0.229 . . . . 0.0 111.27 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.87 162.42 15.47 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 171.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.5 p -149.87 0.76 0.48 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -65.3 136.56 56.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.731 0.3 . . . . 0.0 111.185 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.33 120.66 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.223 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.19 141.5 18.37 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.249 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.01 -21.25 65.05 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.523 0.201 . . . . 0.0 111.14 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.54 161.08 41.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 120.937 0.398 . . . . 0.0 110.734 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -57.89 -40.09 79.44 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.328 -175.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.7 p -57.4 -45.16 84.82 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.095 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.34 -33.72 76.15 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.359 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.71 -48.14 49.29 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 110.682 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.8 mt -60.32 -40.0 89.03 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -65.42 -42.15 92.81 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -61.88 -40.36 95.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.718 0.294 . . . . 0.0 110.667 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.6 t -61.59 -44.97 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.152 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.73 71.7 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.786 0.326 . . . . 0.0 111.024 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.14 -28.79 19.81 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.868 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.0 m -114.34 -17.41 11.81 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -135.17 25.44 3.54 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.625 0.25 . . . . 0.0 111.519 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.76 -55.9 0.18 Allowed 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.778 174.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 121.002 0.43 . . . . 0.0 110.904 177.704 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.106 0 C4'-C3'-C2' 99.161 -3.539 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C4'-C3'-C2' 99.209 -3.491 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 99.193 -3.507 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C3'-C2'-C1' 103.81 2.567 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -2.759 0 O3'-P-O5' 110.402 3.37 . 0.249 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O5'-C5'-C4' 116.176 4.268 . 0.629 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 99.198 -3.502 . 0.578 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 1 C3'-C2'-C1' 97.46 -4.489 . 0.703 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.642 -3.058 . 0.645 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 0 C4'-C3'-C2' 100.105 -2.595 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C5'-C4'-O4' 114.338 3.67 . 0.201 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.545 0 C5'-C4'-C3' 110.406 -3.396 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.435 0 O5'-C5'-C4' 113.121 2.087 . 0.173 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.405 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 1 C5'-C4'-C3' 107.943 -5.038 . 0.488 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.215 -3.485 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.408 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.996 0 C4'-C3'-C2' 98.783 -3.917 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.408 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.409 1 C4'-C3'-C2' 98.183 -4.517 . 0.91 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 1 C4'-C3'-C2' 97.865 -4.835 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.711 0 C4'-C3'-C2' 98.908 -3.792 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.414 -3.286 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 99.808 -2.892 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 C5'-C4'-C3' 109.331 -4.113 . 0.514 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 1 C5'-C4'-O4' 114.833 4.024 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 1 C3'-C2'-C1' 96.088 -6.013 . 0.339 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.517 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.547 2.811 1 C3'-C2'-C1' 97.608 -4.324 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 P-O3'-C3' 124.068 3.64 . 0.698 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 C4'-C3'-C2' 100.15 -2.55 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C4'-C3'-C2' 99.302 -3.398 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C4'-C3'-C2' 99.014 -3.686 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.266 0 C5'-C4'-O4' 112.877 2.627 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.294 -3.406 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 C3'-C2'-C1' 102.894 1.549 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.664 0 O5'-C5'-C4' 112.739 1.814 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 O5'-C5'-C4' 113.927 2.662 . 0.73 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 P-O3'-C3' 123.069 2.807 . 0.359 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 1 C4'-C3'-C2' 96.952 -5.748 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.548 1 C5'-C4'-O4' 115.338 4.384 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 C4'-C3'-C2' 98.293 -4.407 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.747 0 C4'-C3'-C2' 99.176 -3.524 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 100.132 -2.568 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C3'-C2'-C1' 99.875 -1.805 . 0.96 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.86 0 P-O3'-C3' 123.101 2.834 . 0.179 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.908 0 C4'-C3'-C2' 99.505 -3.195 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C4'-C3'-C2' 98.776 -3.924 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 C4'-C3'-C2' 98.647 -4.053 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 98.857 -3.843 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 98.737 -3.963 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.722 1 C4'-C3'-C2' 98.444 -4.256 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.907 0 C4'-C3'-C2' 99.368 -3.332 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 C5'-C4'-C3' 111.7 -2.533 . 0.761 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.545 0 C5'-C4'-C3' 110.241 -3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 98.955 -3.745 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 C4'-C3'-C2' 98.917 -3.783 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.888 -2.812 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.853 0.359 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -109.11 123.16 48.74 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.351 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.91 138.98 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.694 -169.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.71 128.39 33.98 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.489 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -110.38 24.18 13.32 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.63 154.74 24.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.71 114.77 2.2 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-O 120.85 0.357 . . . . 0.0 111.15 -171.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.9 t30 69.71 15.11 8.11 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.727 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.81 -78.65 0.24 Allowed 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.13 13.63 79.35 Favored Glycine 0 CA--C 1.555 2.531 0 CA-C-N 116.29 -0.414 . . . . 0.0 113.431 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -69.65 143.21 53.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 117.516 0.658 . . . . 0.0 110.693 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.81 136.96 55.04 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.901 0.381 . . . . 0.0 111.156 -173.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -126.2 155.93 41.01 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.252 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -64.64 -40.39 95.37 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -134.15 148.02 50.88 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 -172.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -61.77 -28.65 69.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.505 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.87 -35.03 79.31 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 122.409 -0.182 . . . . 0.0 110.925 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -73.08 -37.0 66.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.61 0.243 . . . . 0.0 110.735 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.66 -47.16 86.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.836 0.35 . . . . 0.0 110.472 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.71 -40.71 84.5 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.734 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 9.6 t -60.16 -41.19 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.838 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -69.16 -45.05 70.98 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.573 0.225 . . . . 0.0 111.268 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -65.89 -31.73 72.83 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.354 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -28.82 54.11 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 120.427 0.156 . . . . 0.0 110.879 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -67.91 -46.82 70.48 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 122.402 -0.186 . . . . 0.0 111.227 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.37 83.89 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.769 0.318 . . . . 0.0 111.011 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.27 -18.59 41.86 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.88 30.8 16.56 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.358 0.663 . . . . 0.0 112.0 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -129.43 155.93 44.9 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.339 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.2 mt -95.6 132.48 27.37 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-O 120.677 0.275 . . . . 0.0 111.108 -169.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.69 -36.48 0.83 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.475 2.117 . . . . 0.0 113.206 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.48 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.45 94.09 6.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.914 0.387 . . . . 0.0 110.6 -169.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.15 139.49 33.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.634 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.2 t -73.91 121.01 84.15 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.606 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.59 4.34 4.0 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.801 2.334 . . . . 0.0 113.449 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -69.09 147.59 51.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 127.98 33.86 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.748 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.14 -0.04 83.44 Favored Glycine 0 CA--C 1.547 2.082 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.658 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.7 149.63 32.65 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -141.06 12.48 2.22 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -65.88 145.69 55.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -134.15 152.74 51.97 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -134.09 157.92 44.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.95 -169.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 p -82.38 -27.41 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.419 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.63 155.23 80.62 Favored Pre-proline 0 N--CA 1.477 0.912 0 O-C-N 123.081 0.238 . . . . 0.0 110.783 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.48 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 23.0 Cg_endo -67.3 -34.76 26.29 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.442 2.095 . . . . 0.0 112.068 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.9 p -62.24 -35.32 78.57 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.08 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -73.01 -37.58 66.89 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.036 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.74 -46.74 74.47 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.729 0.299 . . . . 0.0 110.75 173.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.5 81.1 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.843 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -69.5 -40.83 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.889 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.89 -33.77 72.27 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.032 174.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.42 -31.2 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 120.561 0.22 . . . . 0.0 110.887 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -59.57 -25.7 64.79 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.262 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.85 -41.24 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.705 0.288 . . . . 0.0 110.598 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -77.11 -32.67 56.7 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.287 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.02 64.93 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.7 0.286 . . . . 0.0 111.0 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.79 174.13 48.06 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.61 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.545 0.338 . . . . 0.0 110.244 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.95 142.21 15.48 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.356 2.037 . . . . 0.0 112.39 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.45 140.22 49.95 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -139.75 11.7 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.29 -20.8 63.9 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.125 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -151.29 145.42 25.33 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.831 0.348 . . . . 0.0 110.667 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.61 -27.58 68.5 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.554 -175.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -98.99 20.13 13.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.561 0.22 . . . . 0.0 111.194 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.6 t -114.48 130.31 56.72 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.174 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -131.48 15.66 4.96 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.536 -171.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.66 141.58 56.62 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.603 0.24 . . . . 0.0 110.918 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.5 t -128.36 122.37 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-O 120.846 0.355 . . . . 0.0 110.346 170.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.72 133.22 11.63 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.114 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -66.8 -15.03 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 122.754 -0.262 . . . . 0.0 111.297 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 162.28 40.97 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.841 0.353 . . . . 0.0 110.411 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -57.64 -39.78 77.76 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.275 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.8 p -58.19 -46.69 85.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.477 0.18 . . . . 0.0 111.186 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.88 -35.26 79.42 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.264 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -69.33 -48.18 62.2 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.553 0.216 . . . . 0.0 110.622 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 39.6 mt -60.62 -40.93 93.71 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.651 0.263 . . . . 0.0 110.975 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.92 -44.08 93.98 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.8 -45.11 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.084 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.92 71.61 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.795 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.24 -22.85 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.056 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 -19.02 6.17 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -169.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -135.53 17.03 3.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.564 0.221 . . . . 0.0 111.58 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -150.81 176.5 11.0 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.856 0.36 . . . . 0.0 110.753 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 N--CA 1.475 0.79 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.815 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.346 0 C4'-C3'-C2' 99.534 -3.166 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C4'-C3'-C2' 99.489 -3.211 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 98.973 -3.727 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.46 -3.24 . 0.947 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 0 O5'-C5'-C4' 115.39 3.707 . 0.283 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.727 0 O4'-C4'-C3' 110.602 3.645 . 0.667 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C4'-C3'-C2' 99.291 -3.409 . 0.593 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 C3'-C2'-C1' 97.715 -4.206 . 0.67 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.112 -3.588 . 0.704 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.934 0 C4'-C3'-C2' 99.765 -2.935 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 1 C5'-C4'-O4' 115.317 4.369 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 0 C5'-C4'-C3' 110.001 -3.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.52 0 C3'-C2'-C1' 99.664 -2.04 . 0.115 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.459 0 O5'-C5'-C4' 114.547 3.105 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.873 0 C5'-C4'-O4' 114.211 3.579 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 C4'-C3'-C2' 98.692 -4.008 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 1 C4'-C3'-C2' 98.198 -4.502 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C4'-C3'-C2' 98.846 -3.854 . 0.936 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 1 C4'-C3'-C2' 98.282 -4.418 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 1 C4'-C3'-C2' 98.114 -4.586 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 1 C4'-C3'-C2' 98.633 -4.067 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O5'-C5'-C4' 113.846 2.605 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C5'-C4'-C3' 109.833 -3.778 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C5'-C4'-O4' 114.438 3.741 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 2 C3'-C2'-C1' 95.76 -6.377 . 0.365 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.942 0 P-O3'-C3' 123.993 3.578 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 P-O3'-C3' 124.354 3.878 . 0.729 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.838 0 C4'-C3'-C2' 99.841 -2.859 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 99.071 -3.629 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 0 C4'-C3'-C2' 98.927 -3.773 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.146 0 C5'-C4'-O4' 112.841 2.601 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 99.271 -3.429 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.062 0 C3'-C2'-C1' 102.892 1.547 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.535 0 O5'-C5'-C4' 112.651 1.751 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O5'-C5'-C4' 113.925 2.661 . 0.727 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 P-O3'-C3' 123.027 2.773 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 1 C4'-C3'-C2' 96.929 -5.771 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.515 1 C5'-C4'-O4' 115.308 4.363 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 1 C4'-C3'-C2' 98.149 -4.551 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.908 0 O5'-C5'-C4' 115.505 3.789 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 C4'-C3'-C2' 99.422 -3.278 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 C4'-C3'-C2' 100.934 -1.766 . 0.923 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.798 0 P-O3'-C3' 123.134 2.862 . 0.201 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.402 -3.298 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C4'-C3'-C2' 98.912 -3.788 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 C4'-C3'-C2' 98.577 -4.123 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 C4'-C3'-C2' 98.68 -4.02 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.849 -3.851 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.753 1 C4'-C3'-C2' 98.597 -4.103 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.946 0 C4'-C3'-C2' 99.519 -3.181 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.148 0 O4'-C4'-C3' 109.761 3.044 . 0.571 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.689 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.776 -3.924 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 98.974 -3.726 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.907 -2.793 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -109.27 122.81 48.15 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.438 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.83 139.03 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.485 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -79.43 128.35 33.24 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.523 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.48 24.06 13.45 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.948 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.18 154.68 22.67 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.197 170.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.41 114.76 1.95 Allowed 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.762 0.315 . . . . 0.0 111.162 -172.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.8 15.08 8.01 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.616 174.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.0 t -85.16 -78.22 0.26 Allowed 'General case' 0 CA--C 1.565 1.536 0 CA-C-O 120.651 0.262 . . . . 0.0 111.071 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.82 14.49 73.01 Favored Glycine 0 CA--C 1.553 2.461 0 CA-C-N 116.383 -0.372 . . . . 0.0 113.457 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -70.13 144.56 52.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 117.457 0.629 . . . . 0.0 110.677 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.93 136.56 54.91 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.35 160.03 31.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.12 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -61.48 -47.08 87.27 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.232 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.524 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 10.6 mttp -137.3 156.85 47.76 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.879 -170.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -60.6 -28.34 68.42 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.542 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -37.23 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 122.291 -0.255 . . . . 0.0 110.777 178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.09 -37.77 66.62 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.683 0.277 . . . . 0.0 110.68 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.41 -47.09 87.36 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.837 0.351 . . . . 0.0 110.575 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.63 -37.18 80.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 t -62.71 -41.23 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -69.5 -45.01 69.92 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.212 -177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.5 -31.8 73.07 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.195 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.86 55.04 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.806 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -69.22 -46.31 67.7 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.361 -0.212 . . . . 0.0 111.204 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -63.88 -36.27 83.38 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.071 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 74.0 p -83.24 -19.89 35.57 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 31.83 20.64 Favored 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 123.291 0.637 . . . . 0.0 111.896 -175.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.62 156.37 45.0 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 169.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -94.56 131.97 29.76 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-O 120.659 0.266 . . . . 0.0 111.038 -170.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.4 Cg_endo -78.82 -36.69 0.74 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.551 2.167 . . . . 0.0 113.266 -171.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 78.4 m-85 -100.87 94.05 5.84 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.549 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -100.81 141.76 33.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.06 121.06 84.29 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.489 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.57 5.52 3.77 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.857 2.371 . . . . 0.0 113.313 -172.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -68.41 151.97 46.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.939 0.4 . . . . 0.0 111.042 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.74 130.75 44.19 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.966 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.21 2.25 90.39 Favored Glycine 0 CA--C 1.549 2.18 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.767 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.9 t -114.48 150.95 34.03 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.844 0.354 . . . . 0.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -148.15 15.27 1.04 Allowed 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.23 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.02 146.21 53.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.752 0.311 . . . . 0.0 110.619 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -134.34 152.62 51.91 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.355 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -134.04 158.75 42.76 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.977 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 p -83.09 -27.97 29.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.47 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -128.99 155.84 79.06 Favored Pre-proline 0 N--CA 1.48 1.03 0 CA-C-O 120.61 0.243 . . . . 0.0 110.695 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.3 Cg_endo -67.14 -33.77 30.31 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.376 2.051 . . . . 0.0 112.164 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.4 p -62.37 -35.76 80.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.718 0.294 . . . . 0.0 111.062 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -73.08 -37.14 66.89 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.87 -45.64 77.48 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 172.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -58.15 -39.54 79.06 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.867 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -69.89 -40.16 75.84 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.969 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.12 -33.7 71.18 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.43 -30.99 67.32 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.593 0.235 . . . . 0.0 110.847 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -59.43 -25.86 64.69 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.153 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -43.13 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 120.608 0.242 . . . . 0.0 110.776 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -77.09 -29.69 55.07 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.294 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.83 -26.99 63.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 120.742 0.306 . . . . 0.0 110.777 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.28 173.66 49.84 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.403 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -124.06 94.68 45.15 Favored Pre-proline 0 C--O 1.236 0.365 0 C-N-CA 122.478 0.311 . . . . 0.0 110.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.8 142.1 13.9 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.347 2.032 . . . . 0.0 112.332 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.19 139.31 48.15 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.053 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.5 11.78 2.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.439 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.46 -21.76 64.61 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.42 143.33 24.73 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.34 -23.71 66.4 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.589 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.8 m -101.56 22.04 13.36 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.593 0.235 . . . . 0.0 111.115 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.64 132.01 56.76 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.148 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.1 m -131.8 16.15 4.78 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.509 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -62.09 141.32 58.19 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.661 0.267 . . . . 0.0 110.85 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.3 123.09 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 170.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.43 133.32 11.71 Favored Glycine 0 N--CA 1.472 1.094 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.996 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.33 -14.79 63.24 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.74 -0.271 . . . . 0.0 111.213 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.67 42.21 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.752 0.31 . . . . 0.0 110.367 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -57.37 -40.22 77.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.277 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 p -57.66 -47.01 83.47 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.863 -0.153 . . . . 0.0 111.198 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.18 -35.47 78.94 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.415 0.15 . . . . 0.0 111.199 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.46 -48.23 61.48 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.646 0.26 . . . . 0.0 110.648 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.0 mt -60.09 -40.98 91.5 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -63.97 -43.79 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -61.96 -42.89 99.63 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.866 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.9 t -62.11 -45.09 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.124 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.31 -32.46 73.89 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 120.717 0.294 . . . . 0.0 110.984 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.17 -28.66 19.86 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.925 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.02 -20.21 12.05 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -134.92 15.78 3.56 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -140.75 -52.2 0.47 Allowed 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 120.458 0.17 . . . . 0.0 111.043 175.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 121.081 0.467 . . . . 0.0 110.797 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C4'-C3'-C2' 99.069 -3.631 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C4'-C3'-C2' 99.349 -3.351 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 99.182 -3.518 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 100.016 -2.684 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 0 O5'-C5'-C4' 113.475 2.34 . 0.338 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.947 0 O4'-C4'-C3' 111.099 4.0 . 0.651 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 P-O3'-C3' 123.961 3.551 . 0.585 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 1 C3'-C2'-C1' 97.763 -4.152 . 0.673 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.195 -3.505 . 0.707 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 99.81 -2.89 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 C5'-C4'-O4' 115.274 4.339 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.657 0 C5'-C4'-C3' 109.978 -3.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.628 0 C3'-C2'-C1' 99.576 -2.137 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.526 0 O5'-C5'-C4' 114.586 3.133 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.905 0 C5'-C4'-O4' 114.303 3.645 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 98.752 -3.948 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.169 -4.531 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 0 C4'-C3'-C2' 99.226 -3.474 . 0.938 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.064 -3.636 . 0.934 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 C4'-C3'-C2' 98.272 -4.428 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 1 C4'-C3'-C2' 98.481 -4.219 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 99.831 -2.869 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C5'-C4'-C3' 112.253 -2.165 . 0.855 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C5'-C4'-O4' 113.701 3.215 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 1 C3'-C2'-C1' 95.885 -6.238 . 0.462 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.524 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.546 2.754 1 C3'-C2'-C1' 97.328 -4.636 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 P-O3'-C3' 124.388 3.907 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C4'-C3'-C2' 99.807 -2.893 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.084 0 C4'-C3'-C2' 99.06 -3.64 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 C4'-C3'-C2' 98.994 -3.706 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.16 0 C5'-C4'-O4' 112.706 2.504 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 99.221 -3.479 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.096 0 C4'-C3'-O3' 114.549 1.519 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.594 0 O5'-C5'-C4' 112.682 1.773 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O5'-C5'-C4' 113.949 2.678 . 0.728 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 P-O3'-C3' 123.062 2.802 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.006 1 C4'-C3'-C2' 96.966 -5.734 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 1 C5'-C4'-O4' 115.321 4.372 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 C4'-C3'-C2' 98.09 -4.61 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 1 C4'-C3'-C2' 98.681 -4.019 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 C4'-C3'-C2' 100.286 -2.414 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 100.589 -2.111 . 0.956 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 0 P-O3'-C3' 123.009 2.757 . 0.205 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.451 -3.249 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C4'-C3'-C2' 99.026 -3.674 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 1 C4'-C3'-C2' 98.681 -4.019 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 C4'-C3'-C2' 98.616 -4.084 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 98.859 -3.841 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.739 1 C4'-C3'-C2' 98.624 -4.076 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 C4'-C3'-C2' 99.402 -3.298 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 O4'-C4'-C3' 109.655 2.968 . 0.65 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.648 0 C5'-C4'-C3' 111.001 -3.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.103 0 C4'-C3'-C2' 98.763 -3.937 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.007 0 C4'-C3'-C2' 98.947 -3.753 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 99.964 -2.736 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.824 0.345 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.09 124.53 50.92 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.306 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.01 139.11 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.986 0.422 . . . . 0.0 111.628 -169.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.2 t -77.8 127.02 31.74 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.397 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -109.08 23.82 14.0 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.1 t80 -61.73 153.38 28.52 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.94 114.71 2.03 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.75 14.98 8.08 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.69 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.63 -79.63 0.22 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.674 0.273 . . . . 0.0 110.977 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.45 15.22 80.46 Favored Glycine 0 CA--C 1.555 2.573 0 CA-C-N 116.354 -0.385 . . . . 0.0 113.455 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.8 tttp -71.09 143.35 50.68 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 117.498 0.649 . . . . 0.0 110.688 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 137.51 54.86 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -126.2 154.68 42.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.273 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -66.93 -37.97 85.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.313 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -135.63 148.98 49.2 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.697 0.284 . . . . 0.0 110.803 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -66.31 -28.97 69.09 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -170.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -30.42 71.42 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 122.379 -0.201 . . . . 0.0 110.78 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -73.16 -37.55 66.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.59 0.233 . . . . 0.0 110.683 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.95 -47.13 86.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.693 0.282 . . . . 0.0 110.492 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.27 -39.32 86.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.2 -41.17 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 175.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.416 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.7 t60 -69.53 -44.99 69.85 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.214 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.34 -31.87 72.92 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.334 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.9 55.08 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.888 175.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.74 -46.56 71.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 122.481 -0.137 . . . . 0.0 111.197 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 95.3 m-70 -64.77 -36.3 83.87 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.839 0.352 . . . . 0.0 111.142 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 p -82.34 -18.85 40.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 30.41 16.94 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.342 0.657 . . . . 0.0 111.955 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.99 156.45 43.78 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.617 0.246 . . . . 0.0 110.378 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.71 131.27 28.4 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.095 -169.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -79.04 -37.88 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.587 2.191 . . . . 0.0 113.288 -170.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.48 97.56 9.53 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.756 0.312 . . . . 0.0 110.6 -169.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.36 142.98 31.09 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 120.833 0.349 . . . . 0.0 110.948 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.95 121.24 84.63 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.23 4.74 4.61 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.851 2.368 . . . . 0.0 113.188 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.93 146.45 54.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.022 0.439 . . . . 0.0 111.009 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.54 118.44 9.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.08 65.73 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.602 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -109.75 155.83 21.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.854 0.359 . . . . 0.0 110.701 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -148.03 13.53 1.0 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -66.07 144.77 56.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.732 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -131.84 151.82 51.42 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -133.97 160.21 38.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.13 -169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.8 p -83.42 -29.18 28.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.516 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.662 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.72 155.02 81.03 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 120.607 0.241 . . . . 0.0 110.8 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.6 Cg_endo -66.33 -36.85 26.01 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.447 2.098 . . . . 0.0 112.145 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 55.6 m -65.92 -31.34 72.21 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.042 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -72.54 -39.19 67.71 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.889 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp -66.13 -44.82 83.14 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -55.62 -42.32 74.74 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.11 90.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.727 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.26 -36.97 79.02 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.621 0.248 . . . . 0.0 111.185 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -58.72 -31.53 68.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 120.727 0.298 . . . . 0.0 110.842 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -59.78 -25.77 65.18 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.287 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.73 -40.89 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-O 120.659 0.266 . . . . 0.0 110.596 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.94 -30.14 55.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.24 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -73.05 -29.07 62.7 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.957 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.3 173.61 47.35 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.7 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.14 94.76 44.88 Favored Pre-proline 0 C--O 1.235 0.306 0 C-N-CA 122.684 0.394 . . . . 0.0 110.173 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.63 140.56 14.96 Favored 'Trans proline' 0 N--CA 1.445 -1.354 0 C-N-CA 122.295 1.996 . . . . 0.0 112.183 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.88 143.22 52.86 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -142.34 12.13 1.95 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.542 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -67.06 -23.37 65.86 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -148.63 144.05 26.94 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.85 -28.05 69.29 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.42 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.1 m -96.96 17.19 17.46 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.204 0.202 . . . . 0.0 111.326 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.01 159.03 15.35 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.0 p -149.93 3.8 0.54 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -64.69 139.68 58.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.683 0.278 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.29 120.32 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.181 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.84 134.7 12.86 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.122 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.05 -14.81 63.26 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 122.813 -0.228 . . . . 0.0 111.357 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 161.3 42.92 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.838 0.352 . . . . 0.0 110.486 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.3 t-105 -58.13 -40.03 80.26 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.292 -176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -56.96 -47.05 81.65 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.016 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.28 -33.84 75.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.323 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -70.11 -48.19 58.62 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.594 0.235 . . . . 0.0 110.553 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 65.8 mt -60.06 -42.04 93.65 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -66.58 -39.41 88.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -61.93 -41.37 97.87 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.62 0.248 . . . . 0.0 110.804 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.6 -45.09 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.87 73.13 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.172 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -89.22 -39.05 13.79 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.745 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.83 -18.88 16.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -169.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.55 0.958 0 CA-C-O 120.967 0.413 . . . . 0.0 110.842 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.934 0.397 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.18 123.77 49.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.252 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.16 139.11 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.904 -169.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.417 ' HA ' HD11 ' A' ' 122' ' ' LEU . 43.8 t -79.07 130.56 35.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.458 170.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -112.37 24.61 12.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.944 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.22 154.91 22.2 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.111 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.37 114.77 2.13 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.884 0.373 . . . . 0.0 111.131 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.88 14.95 7.94 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.674 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 52.0 t -84.18 -78.46 0.24 Allowed 'General case' 0 CA--C 1.562 1.427 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.24 13.32 76.69 Favored Glycine 0 CA--C 1.554 2.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.394 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -69.44 143.79 53.48 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.546 0.673 . . . . 0.0 110.644 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.54 138.5 54.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -126.24 156.62 40.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -65.53 -41.16 93.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.126 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -133.18 146.14 51.25 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.757 0.313 . . . . 0.0 110.707 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -63.22 -28.62 70.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -63.94 -32.7 74.33 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 122.267 -0.271 . . . . 0.0 110.838 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -73.01 -37.39 66.97 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.651 0.263 . . . . 0.0 110.641 172.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.7 tp -60.82 -47.11 87.85 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.652 0.263 . . . . 0.0 110.519 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -59.1 -41.53 88.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.723 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.648 HG21 HD23 ' A' ' 148' ' ' LEU . 9.5 t -60.19 -41.23 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 74.9 t60 -67.3 -44.57 78.89 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.62 0.247 . . . . 0.0 111.133 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.99 -31.72 73.0 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.283 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -28.87 52.41 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.814 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t -68.36 -47.19 68.08 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.412 -0.18 . . . . 0.0 111.22 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.68 -36.34 83.54 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.3 p -81.93 -18.09 44.83 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.94 17.1 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 123.318 0.647 . . . . 0.0 111.849 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.91 155.87 46.02 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.251 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 37.0 mt -95.06 132.52 27.92 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.105 -169.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.7 Cg_endo -78.72 -36.87 0.73 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.509 2.139 . . . . 0.0 113.243 -171.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.2 m-85 -99.57 91.75 5.04 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.476 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -98.39 143.03 29.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.87 120.21 80.1 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.495 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -92.14 5.8 3.47 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 C-N-CA 122.873 2.382 . . . . 0.0 113.317 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.91 150.62 40.75 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.054 0.454 . . . . 0.0 110.941 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.82 133.83 52.8 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.12 3.35 90.68 Favored Glycine 0 CA--C 1.55 2.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.803 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -120.26 152.86 37.16 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -149.85 16.85 0.88 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.423 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -64.45 149.59 48.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 -135.23 151.35 50.52 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 120.881 0.372 . . . . 0.0 110.476 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -134.08 159.51 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.083 -169.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.6 p -88.05 -15.6 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 -174.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.648 HD23 HG21 ' A' ' 124' ' ' VAL . 17.2 mt -142.34 154.18 63.63 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.71 0.29 . . . . 0.0 111.031 178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.5 Cg_endo -65.9 -31.65 46.99 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.57 2.18 . . . . 0.0 112.42 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 p -63.85 -38.26 90.45 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.43 -39.05 71.29 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.2 -46.35 87.42 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.772 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.0 -37.51 82.78 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -69.45 -34.0 73.75 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.483 0.182 . . . . 0.0 110.853 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.8 -37.96 79.61 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.53 0.205 . . . . 0.0 111.135 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -58.59 -31.14 67.75 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.656 0.265 . . . . 0.0 110.895 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.46 -25.71 64.63 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.084 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.74 -42.75 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-O 120.641 0.258 . . . . 0.0 110.512 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -74.9 -29.39 60.97 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.321 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.98 63.5 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.823 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.68 170.41 41.9 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 116.398 -0.365 . . . . 0.0 112.475 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -124.19 94.8 44.73 Favored Pre-proline 0 CA--C 1.538 0.497 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.15 145.42 17.25 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.477 2.118 . . . . 0.0 112.597 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 138.28 46.71 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.019 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.25 12.75 3.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.537 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -67.94 -23.03 65.02 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.088 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.82 145.46 24.97 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.86 -27.22 68.06 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.451 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 88.0 p -93.63 16.37 13.99 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.07 136.61 52.51 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.9 m -134.22 16.08 3.79 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.437 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.8 139.78 58.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.616 0.246 . . . . 0.0 110.799 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.42 123.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.419 170.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.39 139.63 16.17 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 121.234 -0.507 . . . . 0.0 112.057 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -69.45 -17.72 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 122.878 -0.189 . . . . 0.0 111.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.96 161.51 41.75 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 120.908 0.385 . . . . 0.0 110.444 175.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.422 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -57.66 -40.2 78.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.429 -174.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.6 p -57.29 -45.45 84.1 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.094 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.278 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -69.08 -48.24 63.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.617 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 177' ' ' TRP . 52.5 mt -60.97 -41.06 95.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.887 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.4 -41.56 96.59 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.83 -42.45 99.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.8 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 14.5 t -61.87 -45.08 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.017 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.88 74.33 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -89.22 -32.59 17.36 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.882 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.1 m -107.32 -19.72 13.5 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.07 122.8 48.04 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -109.0 139.07 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.755 -169.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.1 t -78.69 129.38 34.64 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.495 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -111.3 24.77 12.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.88 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.27 154.43 23.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.67 114.74 1.99 Allowed 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 t30 69.78 15.09 8.04 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.712 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.41 -78.82 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.764 0.316 . . . . 0.0 110.945 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.48 13.52 77.49 Favored Glycine 0 CA--C 1.554 2.488 0 CA-C-N 116.316 -0.402 . . . . 0.0 113.43 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -70.58 143.87 51.41 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.448 0.624 . . . . 0.0 110.638 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.0 54.58 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -126.26 156.51 40.22 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.259 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -63.83 -41.23 97.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.305 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -134.68 148.52 50.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.735 -171.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -64.56 -28.9 69.95 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.642 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -65.24 -33.85 76.97 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 122.342 -0.224 . . . . 0.0 110.835 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.05 -35.55 66.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.0 tp -61.68 -47.1 86.88 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 120.682 0.277 . . . . 0.0 110.484 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -56.9 -41.93 79.01 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.738 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.614 HG21 HD23 ' A' ' 148' ' ' LEU . 11.6 t -59.14 -41.22 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 120.738 0.304 . . . . 0.0 111.054 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.2 t60 -68.3 -45.05 74.06 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.574 0.225 . . . . 0.0 111.246 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.86 -31.74 73.11 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.332 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.89 53.48 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.811 175.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -67.92 -47.14 69.57 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 122.441 -0.162 . . . . 0.0 111.242 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -63.98 -36.33 83.63 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.6 p -81.85 -18.31 44.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.043 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.79 32.32 17.32 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.338 0.655 . . . . 0.0 111.891 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.3 155.82 45.68 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 169.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.3 mt -95.71 132.42 27.36 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 120.686 0.279 . . . . 0.0 111.079 -169.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -78.97 -37.06 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 113.222 -171.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 85.4 m-85 -98.94 92.71 5.65 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.514 -170.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -98.8 142.99 29.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.9 t -73.81 121.06 84.25 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.379 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.96 4.86 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.889 2.393 . . . . 0.0 113.167 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.1 151.3 47.18 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.162 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.26 128.65 36.7 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.0 90.33 Favored Glycine 0 CA--C 1.548 2.103 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.713 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -115.12 153.05 31.48 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 120.82 0.343 . . . . 0.0 110.713 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.28 19.36 0.75 Allowed 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.52 143.24 57.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.726 0.298 . . . . 0.0 110.269 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -134.17 150.76 51.11 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.07 157.57 45.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.087 -169.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -84.58 -18.11 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.539 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.614 HD23 HG21 ' A' ' 124' ' ' VAL . 20.4 mt -140.98 154.41 68.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.0 Cg_endo -66.73 -29.73 42.43 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.608 2.205 . . . . 0.0 112.287 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.3 p -66.89 -37.74 84.96 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -70.6 -38.2 73.96 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.883 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.23 -43.77 93.93 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.681 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -39.98 78.37 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.879 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -42.03 90.38 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.809 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.41 -37.06 82.1 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.522 0.201 . . . . 0.0 111.346 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 -31.25 68.08 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.608 0.242 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.61 -25.82 64.96 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.145 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.8 -43.32 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.587 0.232 . . . . 0.0 110.652 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -77.01 -30.55 55.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.288 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.04 64.94 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 120.654 0.264 . . . . 0.0 110.812 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.11 173.33 48.63 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.55 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.18 94.85 44.68 Favored Pre-proline 0 C--O 1.236 0.391 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.48 141.59 15.9 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.338 2.025 . . . . 0.0 112.34 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.89 140.67 53.18 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -142.48 12.38 1.93 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.417 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.71 -23.31 65.27 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -148.19 144.28 27.62 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.834 0.349 . . . . 0.0 110.684 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.28 -27.87 68.94 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.479 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -96.25 17.29 16.13 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.291 -177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 159.11 15.1 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.7 p -151.67 4.81 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -64.86 141.14 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.699 0.285 . . . . 0.0 111.062 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.7 t -128.25 122.66 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.266 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.91 133.24 11.65 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.027 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -66.99 -15.57 63.81 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 122.779 -0.248 . . . . 0.0 111.182 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.4 160.9 43.04 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.405 175.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.445 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.9 t-105 -58.0 -39.26 77.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.8 p -57.09 -47.39 81.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.159 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.0 -34.9 77.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.373 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -69.29 -48.12 62.55 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.542 0.211 . . . . 0.0 110.594 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 177' ' ' TRP . 47.1 mt -59.93 -41.63 92.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.45 -42.4 95.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -61.95 -42.11 98.74 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.703 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.0 t -61.72 -44.9 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.078 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 120.675 0.274 . . . . 0.0 111.154 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.28 -28.27 20.0 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.99 -19.94 12.16 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -169.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.337 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -109.13 122.17 46.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.84 139.08 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.833 -169.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 122' ' ' LEU . 44.2 t -78.86 129.74 34.9 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.452 171.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -111.58 24.24 12.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.26 154.44 23.62 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.133 170.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.88 114.75 2.03 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 -172.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 69.85 15.13 7.96 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.676 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.3 -78.56 0.23 Allowed 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.667 0.27 . . . . 0.0 110.999 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.38 13.84 77.16 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.389 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 35.2 tttp -69.48 144.05 53.34 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.538 0.669 . . . . 0.0 110.669 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 138.37 54.37 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 -174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -126.28 158.49 35.62 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.198 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 1.3 ptmt -76.82 -30.53 56.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.914 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' A' ' 117' ' ' LYS . 27.0 mmtm -129.24 148.09 51.14 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -65.26 -28.73 69.55 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.507 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -64.18 -32.11 73.57 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 122.286 -0.259 . . . . 0.0 110.963 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.23 -37.1 69.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.67 0.271 . . . . 0.0 110.676 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 107' ' ' CYS . 28.3 tp -62.02 -47.2 85.82 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.64 -40.16 86.74 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.622 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.685 HG21 HD23 ' A' ' 148' ' ' LEU . 12.7 t -61.29 -41.19 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.2 t60 -67.62 -44.35 78.21 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.075 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.78 -31.69 73.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.306 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.77 54.28 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 116.845 -0.161 . . . . 0.0 110.857 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.74 -46.84 67.83 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 122.389 -0.194 . . . . 0.0 111.182 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.81 -36.26 83.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.729 0.299 . . . . 0.0 110.999 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 80.0 p -82.29 -18.75 41.22 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.01 33.0 19.3 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.244 0.618 . . . . 0.0 111.899 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -131.08 155.8 46.3 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 36.6 mt -94.5 132.28 29.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.096 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.5 Cg_endo -78.42 -36.46 0.93 Allowed 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.565 2.177 . . . . 0.0 113.233 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.5 m-85 -100.23 92.75 5.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.936 0.398 . . . . 0.0 110.43 -169.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -95.15 143.01 26.92 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.548 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.83 121.04 84.22 Favored Pre-proline 0 CA--C 1.564 1.481 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.348 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -89.88 4.5 4.85 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 122.906 2.404 . . . . 0.0 113.251 -171.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.43 144.1 57.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.41 111.29 3.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.58 -3.94 42.97 Favored Glycine 0 CA--C 1.544 1.878 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.602 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.46 155.51 19.5 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.851 0.358 . . . . 0.0 110.627 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -146.06 13.24 1.28 Allowed 'General case' 0 CA--C 1.557 1.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.2 145.59 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -134.29 152.26 51.72 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.335 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.02 156.12 48.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.225 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.8 p -87.34 -15.68 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.576 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.685 HD23 HG21 ' A' ' 124' ' ' VAL . 15.3 mt -141.87 154.59 65.66 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.875 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.1 Cg_endo -66.29 -32.84 40.84 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.531 2.154 . . . . 0.0 112.384 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.1 p -62.57 -37.63 86.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.732 0.301 . . . . 0.0 111.043 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.35 -39.26 71.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.887 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.04 -45.88 86.89 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.757 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.69 -36.51 74.33 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.111 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -73.11 -35.42 66.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.855 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -66.03 -35.2 79.91 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.585 0.231 . . . . 0.0 111.172 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.61 -31.19 67.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.55 0.214 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -59.61 -25.7 64.85 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.177 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.5 t -61.77 -43.22 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 120.663 0.268 . . . . 0.0 110.522 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.18 -28.25 57.24 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.227 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.28 63.13 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-O 120.636 0.255 . . . . 0.0 110.853 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.07 171.46 44.47 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.398 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -124.16 94.8 44.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.47 145.55 14.89 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.481 2.12 . . . . 0.0 112.596 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.6 t -74.67 141.02 44.6 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.17 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -142.23 13.51 2.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.319 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.18 -23.13 65.73 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.031 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -150.61 145.89 26.18 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.33 -27.92 68.94 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.446 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.1 p -93.58 16.35 13.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.386 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -113.83 136.74 52.53 Favored 'General case' 0 CA--C 1.55 0.942 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.248 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -136.08 17.02 3.23 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.425 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.41 140.35 58.56 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.655 0.264 . . . . 0.0 110.864 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 123.34 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.7 137.93 15.25 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.201 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -22.48 66.36 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 122.888 -0.184 . . . . 0.0 111.057 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.78 162.14 39.82 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.5 t-105 -57.72 -40.09 78.79 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.379 -174.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 p -56.97 -48.02 79.38 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.469 0.176 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.9 -35.63 78.92 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.183 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -68.24 -48.12 65.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.626 0.251 . . . . 0.0 110.655 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.6 mt -60.73 -39.58 89.17 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.03 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -63.95 -43.59 95.38 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.835 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -61.95 -42.88 99.61 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.704 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.75 -45.07 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.997 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.64 74.07 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.988 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -89.25 -27.12 20.81 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.95 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 96.1 m -114.9 -19.78 10.83 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.16 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 120.877 0.37 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -109.11 119.57 39.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.1 t -111.31 139.19 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.833 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.23 128.4 33.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.439 171.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -110.53 24.29 13.16 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.994 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.43 153.77 26.15 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.5 114.78 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.784 0.326 . . . . 0.0 111.247 -172.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.78 15.14 8.02 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.748 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -84.95 -78.39 0.25 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 120.755 0.312 . . . . 0.0 111.027 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.83 15.2 73.63 Favored Glycine 0 CA--C 1.551 2.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.432 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.6 142.71 53.48 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 117.462 0.631 . . . . 0.0 110.472 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.92 54.83 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 -173.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -126.26 157.04 39.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.992 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' ' HG3' ' A' ' 118' ' ' LYS . 1.2 ptmt -72.31 -32.07 66.25 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.512 ' HG3' ' HG3' ' A' ' 117' ' ' LYS . 55.4 mttp -137.78 154.02 49.62 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.074 0.464 . . . . 0.0 111.773 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -67.55 -28.69 68.01 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.703 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.97 -36.08 82.78 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 122.318 -0.239 . . . . 0.0 110.716 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.8 -37.74 70.36 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.686 0.279 . . . . 0.0 110.549 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.66 -47.27 86.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.75 0.31 . . . . 0.0 110.704 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -62.52 -38.47 90.1 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.87 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 148' ' ' LEU . 3.2 t -59.91 -41.21 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 73.5 t60 -68.46 -44.93 73.78 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.159 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.12 -31.69 72.98 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.395 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.93 53.46 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.757 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.3 t -67.69 -46.93 70.87 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 122.431 -0.168 . . . . 0.0 111.265 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.26 -36.26 83.51 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.835 0.35 . . . . 0.0 111.058 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -81.83 -17.84 46.06 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.01 32.73 16.05 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.283 0.633 . . . . 0.0 111.838 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -131.19 155.47 46.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.223 169.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.6 mt -94.87 133.72 26.05 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.072 -169.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -79.93 -38.15 0.38 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.561 2.174 . . . . 0.0 113.256 -171.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.564 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.0 m-85 -95.24 92.24 6.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.509 -170.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.44 141.78 28.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 33.8 t -73.92 120.48 81.47 Favored Pre-proline 0 CA--C 1.565 1.543 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.454 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.17 5.72 4.81 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.836 2.357 . . . . 0.0 113.349 -171.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.27 142.38 58.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.41 103.4 1.63 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 113.31 -1.33 25.21 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -110.34 158.23 18.66 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.827 0.346 . . . . 0.0 110.614 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.05 11.71 0.94 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.668 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -66.52 148.76 51.43 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 120.817 0.341 . . . . 0.0 110.687 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -135.28 154.0 51.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -134.12 160.18 38.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.951 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 148' ' ' LEU . 9.0 p -83.27 -26.95 30.22 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.511 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -136.52 155.62 76.85 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 122.381 0.272 . . . . 0.0 110.423 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.564 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.1 Cg_endo -64.64 -25.01 62.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.637 2.225 . . . . 0.0 112.563 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.1 p -65.02 -43.71 91.58 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -70.1 -36.12 74.64 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.99 -43.98 94.05 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.509 0.195 . . . . 0.0 110.775 173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -64.58 -35.45 81.01 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.803 -0.181 . . . . 0.0 111.111 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.83 -40.37 91.73 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.562 0.22 . . . . 0.0 110.594 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.84 -39.08 90.45 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.077 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.81 -31.41 68.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.549 0.214 . . . . 0.0 110.982 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.72 -25.91 65.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.03 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.76 -43.5 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 120.721 0.296 . . . . 0.0 110.53 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -77.12 -28.58 54.39 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.22 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.66 63.26 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.665 0.269 . . . . 0.0 110.841 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.23 168.87 44.66 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.385 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -124.06 94.79 44.98 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.59 145.83 16.63 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.546 2.164 . . . . 0.0 112.522 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -74.06 138.64 44.13 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.017 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -137.35 12.71 3.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.418 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -68.35 -21.88 64.71 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.106 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.68 141.67 23.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.835 0.35 . . . . 0.0 110.679 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.33 -22.59 66.28 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.618 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 72.4 m -100.34 19.42 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.207 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.33 163.08 13.23 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 171.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.53 5.75 0.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.68 138.01 57.11 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.757 0.313 . . . . 0.0 111.104 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.38 122.04 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.236 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.58 139.01 16.91 Favored Glycine 0 N--CA 1.473 1.155 0 C-N-CA 121.367 -0.444 . . . . 0.0 112.103 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -69.62 -18.33 63.59 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 120.578 0.227 . . . . 0.0 111.068 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.83 160.2 43.01 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.418 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.7 t-105 -57.97 -38.9 76.89 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.365 -174.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.2 p -57.62 -46.37 84.2 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.14 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.17 -35.3 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.28 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -69.43 -48.28 61.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 110.589 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 177' ' ' TRP . 55.4 mt -60.2 -40.76 91.19 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.764 0.316 . . . . 0.0 110.814 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -64.74 -41.68 95.75 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.91 -42.61 99.29 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.824 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.64 -45.03 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.02 73.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.704 0.288 . . . . 0.0 111.153 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.24 -43.99 10.59 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.652 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 93.3 m -92.54 -20.52 20.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -169.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -178.438 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 120.823 0.344 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.13 124.16 50.36 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.444 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.0 t -110.49 139.09 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.726 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 122' ' ' LEU . 52.7 t -79.5 128.52 33.47 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.454 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -110.89 24.94 12.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.874 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.3 154.35 24.02 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -55.44 114.63 1.9 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.881 0.372 . . . . 0.0 111.186 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.83 14.95 7.99 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.612 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.25 -79.82 0.22 Allowed 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 120.746 0.307 . . . . 0.0 110.968 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.32 15.65 77.06 Favored Glycine 0 CA--C 1.555 2.541 0 CA-C-N 116.327 -0.397 . . . . 0.0 113.423 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.2 tttp -70.96 143.29 50.91 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 117.356 0.578 . . . . 0.0 110.633 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.12 138.04 54.38 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -126.09 160.03 31.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -64.27 -42.08 96.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.153 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -143.09 155.86 44.69 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.867 -170.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -64.44 -28.86 69.96 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.755 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.58 -32.38 73.69 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 122.437 -0.164 . . . . 0.0 110.86 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -73.1 -37.7 66.63 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.693 0.282 . . . . 0.0 110.744 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 107' ' ' CYS . 23.0 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.744 0.307 . . . . 0.0 110.435 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.61 -39.2 87.32 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.896 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 148' ' ' LEU . 6.1 t -58.96 -41.26 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 176.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.411 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.9 -45.08 68.38 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.215 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.15 -31.82 73.2 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.351 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.78 53.28 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.992 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.55 -46.49 69.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.186 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.25 -36.28 83.58 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.971 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.3 p -82.77 -19.3 38.08 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.5 31.13 18.37 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.264 0.626 . . . . 0.0 112.022 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.89 156.52 44.26 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.389 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.37 131.73 29.17 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 120.73 0.3 . . . . 0.0 111.028 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -78.97 -37.5 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.473 2.115 . . . . 0.0 113.211 -170.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.495 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.93 95.04 7.56 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.618 -170.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.88 143.07 28.87 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.857 0.361 . . . . 0.0 110.828 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.66 121.57 85.55 Favored Pre-proline 0 CA--C 1.565 1.526 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.557 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -91.9 4.64 3.8 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 122.882 2.388 . . . . 0.0 113.313 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -69.99 150.38 46.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.127 0.489 . . . . 0.0 110.966 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.65 129.91 42.08 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.977 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.03 4.87 89.74 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.764 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -119.11 154.44 33.23 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.9 18.36 0.68 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.03 145.98 54.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.391 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -134.0 149.19 51.2 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 57.5 m-85 -134.04 161.4 34.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.177 -169.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 p -82.95 -29.55 28.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.622 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 124' ' ' VAL . 4.4 mm? -129.25 155.23 80.29 Favored Pre-proline 0 N--CA 1.479 1.018 0 CA-C-O 120.649 0.261 . . . . 0.0 110.798 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 19.8 Cg_endo -65.93 -34.8 37.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.466 2.111 . . . . 0.0 112.146 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -33.12 74.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.081 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.15 -36.69 66.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.033 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.66 -45.38 83.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.618 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -54.83 -40.87 70.03 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.56 -40.63 84.91 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.893 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 75.4 t60 -61.07 -34.04 74.28 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.523 0.201 . . . . 0.0 111.343 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.45 -30.06 66.64 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 122.291 -0.256 . . . . 0.0 110.76 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -59.43 -25.65 64.52 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.109 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.7 t -61.73 -40.83 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 120.61 0.243 . . . . 0.0 110.602 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -77.06 -32.21 56.67 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.19 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.03 63.52 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 120.635 0.255 . . . . 0.0 111.079 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.32 173.21 46.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 116.475 -0.329 . . . . 0.0 112.564 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -124.11 94.74 44.97 Favored Pre-proline 0 C--O 1.236 0.362 0 C-N-CA 122.526 0.33 . . . . 0.0 110.134 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.35 140.95 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.207 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.23 142.28 52.39 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.084 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -143.5 12.11 1.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.586 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -68.1 -22.39 64.91 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -146.98 142.26 27.33 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.811 0.339 . . . . 0.0 110.473 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -65.15 -24.25 67.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.594 -174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.9 m -102.78 19.35 19.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.167 0.187 . . . . 0.0 111.273 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.0 158.96 15.38 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 171.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -149.44 2.65 0.55 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.65 139.92 58.81 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.768 0.318 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 121.36 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.52 134.61 12.83 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.1 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -66.93 -17.55 64.96 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 122.829 -0.218 . . . . 0.0 111.135 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.39 163.29 38.73 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.845 0.355 . . . . 0.0 110.596 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.438 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.8 t-105 -58.34 -41.06 83.78 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.408 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.3 p -57.39 -46.85 83.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.389 0.138 . . . . 0.0 111.028 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.06 -34.56 76.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.311 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.94 -48.07 59.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.54 0.209 . . . . 0.0 110.644 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.438 HD11 ' CE2' ' A' ' 177' ' ' TRP . 53.1 mt -59.78 -41.48 91.23 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.85 0.357 . . . . 0.0 111.052 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.92 -43.33 96.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -62.03 -42.53 99.27 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.776 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.8 t -62.09 -45.03 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.135 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.35 72.51 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.36 -28.47 19.78 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.044 -175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.9 m -113.89 -19.16 11.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.46 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.819 0.342 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -109.13 122.29 46.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.465 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -109.93 139.14 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.73 -169.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 122' ' ' LEU . 50.6 t -78.45 129.06 34.47 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.463 171.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -111.32 24.57 12.68 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.24 154.53 23.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.165 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.77 114.76 2.02 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 -172.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.6 t30 69.77 15.11 8.04 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.04 -78.41 0.25 Allowed 'General case' 0 CA--C 1.564 1.491 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.9 13.78 75.68 Favored Glycine 0 CA--C 1.554 2.474 0 CA-C-N 116.323 -0.398 . . . . 0.0 113.435 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 39.1 tttp -69.7 143.33 53.15 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 117.49 0.645 . . . . 0.0 110.626 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.79 137.51 54.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.932 0.396 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -126.15 156.77 39.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.198 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.18 -45.33 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.989 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -137.44 153.93 50.03 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.007 -170.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.2 -28.66 69.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.596 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -64.01 -35.82 81.98 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 122.378 -0.201 . . . . 0.0 110.963 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -72.63 -36.09 67.95 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.651 0.263 . . . . 0.0 110.73 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.9 tp -61.18 -47.03 88.04 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 120.614 0.245 . . . . 0.0 110.554 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.21 -43.45 82.8 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.677 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.654 HG21 HD23 ' A' ' 148' ' ' LEU . 13.1 t -58.3 -41.07 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 0.0 110.968 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.5 t60 -69.42 -45.03 70.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.221 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.63 -31.74 72.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.85 54.55 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.449 0.166 . . . . 0.0 110.882 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -68.33 -46.61 69.73 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 122.379 -0.201 . . . . 0.0 111.21 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.22 -36.4 83.95 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.089 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -82.55 -19.28 38.91 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.24 31.5 18.55 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.292 0.637 . . . . 0.0 111.941 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.53 156.27 44.44 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.5 mt -95.66 132.05 28.18 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.148 -169.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.0 Cg_endo -78.99 -37.29 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.515 2.143 . . . . 0.0 113.211 -171.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -97.74 94.22 6.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -98.97 141.58 31.55 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.99 119.88 78.45 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.504 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -92.01 5.63 3.56 Favored 'Trans proline' 0 CA--C 1.552 1.377 0 C-N-CA 122.82 2.346 . . . . 0.0 113.268 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -71.73 148.88 45.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.985 0.421 . . . . 0.0 111.0 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.31 128.34 35.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.88 2.13 81.65 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.724 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.0 t -120.69 152.9 37.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 120.99 0.424 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -148.93 17.05 0.97 Allowed 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 149.72 49.98 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.641 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -135.04 150.39 50.29 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.11 163.6 29.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.055 -169.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 p -88.23 -20.9 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.696 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.654 HD23 HG21 ' A' ' 124' ' ' VAL . 16.8 mt -138.63 153.97 72.81 Favored Pre-proline 0 N--CA 1.473 0.692 0 CA-C-O 120.699 0.285 . . . . 0.0 111.014 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.6 Cg_endo -67.54 -33.59 28.35 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.521 2.148 . . . . 0.0 112.264 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.7 p -63.4 -37.95 89.26 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.987 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -42.57 74.83 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.16 -46.74 85.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.647 0.261 . . . . 0.0 110.823 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -59.13 -35.84 74.16 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.25 -32.86 64.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.983 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.32 -38.1 89.14 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.643 0.259 . . . . 0.0 111.05 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.77 -31.28 68.23 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.64 0.257 . . . . 0.0 110.931 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -59.76 -25.81 65.18 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.67 -42.88 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.834 0.349 . . . . 0.0 110.43 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -74.99 -28.8 60.69 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.35 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.91 62.62 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.643 0.259 . . . . 0.0 110.814 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 170.65 46.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.382 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.07 94.72 45.06 Favored Pre-proline 0 C--O 1.237 0.434 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.18 146.32 14.12 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.506 2.137 . . . . 0.0 112.63 -171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -75.33 140.82 43.32 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.149 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -142.61 13.52 1.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.381 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.65 -23.7 66.19 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.12 142.55 26.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.508 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.15 -21.09 64.03 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.639 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.3 m -98.19 18.2 16.81 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 120.498 0.19 . . . . 0.0 111.168 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.33 160.56 14.19 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.9 t -153.29 8.34 0.4 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -65.38 138.64 58.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.31 124.08 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.27 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.41 139.84 15.78 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.116 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.0 -19.77 64.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.518 0.199 . . . . 0.0 111.036 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.0 161.31 41.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.454 176.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.428 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.8 t-105 -57.95 -39.0 77.01 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -175.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.39 -47.02 82.78 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.457 0.17 . . . . 0.0 111.07 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.93 -35.55 78.74 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.168 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -68.89 -48.21 63.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.62 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.5 mt -59.62 -39.58 84.71 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -63.98 -43.99 94.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -61.88 -42.61 99.26 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 120.679 0.276 . . . . 0.0 110.774 176.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.87 -45.02 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.1 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.51 73.6 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.658 0.266 . . . . 0.0 111.114 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -89.25 -31.0 18.09 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.9 m -110.31 -20.15 12.73 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -169.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.383 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 120.887 0.375 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.25 123.33 49.08 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.226 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.36 139.06 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.797 -169.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.408 ' HA ' HD11 ' A' ' 122' ' ' LEU . 42.8 t -77.98 128.05 33.3 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.479 171.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -109.95 23.73 13.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.915 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.68 154.24 25.87 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 170.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.02 114.71 2.05 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 -172.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.13 8.04 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.643 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.56 -78.48 0.24 Allowed 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 120.687 0.279 . . . . 0.0 111.095 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.52 14.17 77.53 Favored Glycine 0 CA--C 1.554 2.491 0 CA-C-N 116.354 -0.384 . . . . 0.0 113.452 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.4 tttp -69.78 143.33 53.01 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 117.481 0.641 . . . . 0.0 110.626 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.06 137.81 54.53 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.896 0.379 . . . . 0.0 111.131 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.34 155.58 41.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.172 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -65.14 -40.95 95.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.021 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -132.49 145.47 51.19 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.804 0.335 . . . . 0.0 110.561 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -63.62 -28.71 70.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.647 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -63.98 -31.58 72.82 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 122.209 -0.307 . . . . 0.0 111.053 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.15 -38.15 66.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.655 0.264 . . . . 0.0 110.677 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 107' ' ' CYS . 34.0 tp -59.95 -46.99 87.61 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.869 0.366 . . . . 0.0 110.466 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -57.05 -43.68 82.23 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.22 -41.23 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.424 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.2 t60 -68.69 -45.0 72.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.247 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.75 -31.83 73.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.451 0.167 . . . . 0.0 111.347 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -28.8 53.04 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.799 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.75 -46.99 70.54 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 122.46 -0.15 . . . . 0.0 111.218 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.47 -36.34 83.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.744 0.307 . . . . 0.0 111.024 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 68.5 p -82.06 -18.79 41.91 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.64 31.47 17.37 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.317 0.647 . . . . 0.0 111.858 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.52 155.3 45.98 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.8 mt -94.45 133.36 27.14 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 120.634 0.255 . . . . 0.0 111.265 -169.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.98 -36.71 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.53 2.153 . . . . 0.0 113.207 -171.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.514 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.57 94.09 5.94 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.518 -170.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -102.99 141.96 34.9 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.7 t -74.7 120.98 84.18 Favored Pre-proline 0 CA--C 1.565 1.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.472 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -92.36 5.41 3.45 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 C-N-CA 122.9 2.4 . . . . 0.0 113.163 -173.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -65.94 148.92 51.03 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.36 121.72 15.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.93 1.72 76.08 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.57 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.7 t -116.53 155.36 28.79 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.544 0.338 . . . . 0.0 110.646 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -153.54 14.94 0.5 Allowed 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.684 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -65.85 146.63 54.51 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.722 0.296 . . . . 0.0 110.497 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -133.4 150.85 51.79 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.572 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -134.16 160.37 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.08 -169.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.1 m -84.33 -28.31 27.16 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.571 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 124' ' ' VAL . 4.1 mm? -132.52 154.7 81.63 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-O 120.606 0.241 . . . . 0.0 110.546 -177.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.6 Cg_endo -66.91 -30.48 39.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.559 2.172 . . . . 0.0 112.424 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.0 p -61.15 -37.59 83.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -72.96 -40.85 64.99 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.66 -44.18 91.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.652 0.263 . . . . 0.0 110.635 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -54.99 -45.86 75.08 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.712 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.07 -30.45 69.65 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.154 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -69.11 -41.18 77.76 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.446 0.165 . . . . 0.0 110.963 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.84 -31.61 68.66 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.559 0.219 . . . . 0.0 110.881 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -59.82 -25.94 65.38 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.75 -42.39 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 120.721 0.296 . . . . 0.0 110.335 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.27 -30.05 60.32 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.332 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.86 -26.22 63.16 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 120.703 0.287 . . . . 0.0 110.812 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.97 169.95 43.85 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.534 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.07 94.8 44.95 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.49 145.99 13.48 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.502 2.135 . . . . 0.0 112.555 -171.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.5 t -74.28 142.0 45.28 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.025 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.12 13.12 1.83 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.315 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -66.03 -23.4 66.55 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -148.28 144.27 27.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.795 0.331 . . . . 0.0 110.571 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -65.08 -26.95 68.45 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.432 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 54.3 m -95.65 17.01 15.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.263 0.225 . . . . 0.0 111.302 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.78 160.09 14.53 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.99 6.55 0.38 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.29 138.26 58.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.752 0.311 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.3 t -128.35 123.78 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.288 170.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.96 139.52 15.81 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.138 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.19 -19.43 63.98 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.579 0.228 . . . . 0.0 111.092 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.97 160.82 41.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.843 0.354 . . . . 0.0 110.48 176.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.88 -38.85 76.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.283 -175.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.16 -47.57 80.86 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.437 0.161 . . . . 0.0 111.122 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.01 -35.31 78.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.144 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -68.54 -48.02 65.38 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.559 0.219 . . . . 0.0 110.618 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 38.1 mt -61.04 -39.93 91.67 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -63.9 -43.65 95.33 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.817 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.87 -41.98 98.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.74 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.9 t -63.22 -45.07 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.087 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.21 75.31 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.981 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.28 -27.71 20.38 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.35 -20.97 11.63 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -169.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -109.12 118.82 37.74 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.182 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.4 t -111.17 139.05 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.829 -168.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.7 128.1 33.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.544 170.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -110.07 24.22 13.31 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.78 153.63 28.03 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.69 114.72 1.99 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 120.78 0.324 . . . . 0.0 111.185 -172.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.8 t30 69.75 15.26 8.04 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.711 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.1 -78.42 0.25 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 120.746 0.308 . . . . 0.0 110.948 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.34 15.55 74.98 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 113.415 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.6 tttp -69.74 142.76 53.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.556 0.678 . . . . 0.0 110.498 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.98 138.06 54.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.899 0.38 . . . . 0.0 111.201 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.19 155.35 41.9 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.03 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -71.3 -35.3 71.22 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -130.85 150.57 51.96 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 120.925 0.393 . . . . 0.0 111.272 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -67.98 -28.77 67.73 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.767 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -64.83 -31.71 73.07 Favored 'General case' 0 CA--C 1.558 1.285 0 O-C-N 122.183 -0.323 . . . . 0.0 110.964 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -73.02 -37.23 67.0 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.715 0.293 . . . . 0.0 110.685 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.04 -47.11 87.2 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 120.701 0.286 . . . . 0.0 110.449 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -57.26 -44.1 83.62 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 148' ' ' LEU . 7.4 t -58.11 -41.18 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.414 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.8 t60 -68.99 -45.04 71.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.244 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.6 -31.81 73.05 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.84 -0.164 . . . . 0.0 111.389 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.82 52.93 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.828 175.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.0 t -67.6 -46.99 71.0 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 122.423 -0.173 . . . . 0.0 111.173 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.46 -36.34 83.87 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.029 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -81.69 -18.21 45.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.74 16.71 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.96 -175.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -131.03 156.0 45.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.229 169.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.63 131.54 29.23 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.009 -169.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -79.19 -38.1 0.46 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.502 2.134 . . . . 0.0 113.282 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.3 m-85 -95.74 94.49 7.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.474 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.21 142.97 30.01 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.865 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.16 120.71 82.72 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.51 4.63 5.01 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 C-N-CA 122.804 2.336 . . . . 0.0 113.195 -172.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.93 144.08 57.36 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.922 0.391 . . . . 0.0 111.049 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.42 109.38 3.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 106.78 -2.77 36.08 Favored Glycine 0 CA--C 1.545 1.927 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -108.01 155.74 20.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -145.13 12.15 1.38 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.27 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -65.33 144.02 57.38 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.665 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -133.33 150.36 51.86 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.395 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -134.05 158.24 44.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.923 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.7 p -83.04 -26.76 30.86 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.465 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.2 154.85 81.78 Favored Pre-proline 0 N--CA 1.476 0.841 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.3 Cg_endo -66.4 -31.76 42.07 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.8 m -64.48 -38.48 91.15 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.32 -41.77 84.76 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.74 -46.58 81.61 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.61 -37.07 82.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.042 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -69.8 -39.69 76.43 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.728 -0.214 . . . . 0.0 110.806 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -59.03 -33.8 71.17 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.723 0.297 . . . . 0.0 110.985 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.4 -31.27 67.53 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 120.697 0.284 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -59.55 -25.73 64.78 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.271 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.74 -42.0 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-O 120.605 0.241 . . . . 0.0 110.651 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.05 -30.29 55.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.267 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.01 64.9 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.63 174.58 48.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.587 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.17 94.87 44.65 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.78 142.25 15.81 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 122.407 2.071 . . . . 0.0 112.361 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.48 141.37 50.21 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -141.98 12.01 2.02 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.628 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.08 -23.56 65.86 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.105 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -151.23 145.32 25.3 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.844 0.354 . . . . 0.0 110.739 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.77 -28.26 68.9 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.491 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -94.86 18.97 10.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.252 0.221 . . . . 0.0 111.127 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 t -114.47 135.08 54.5 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.18 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 30.4 m -136.09 16.49 3.25 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 142.11 58.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.645 0.259 . . . . 0.0 110.837 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.4 t -128.22 122.64 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 120.849 0.356 . . . . 0.0 110.369 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.53 132.65 11.22 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.12 -15.54 63.78 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 122.824 -0.221 . . . . 0.0 111.148 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.92 162.17 41.32 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 120.78 0.324 . . . . 0.0 110.359 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.447 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.7 t-105 -57.72 -40.5 79.72 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.333 -175.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.1 p -57.02 -47.63 80.41 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.18 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.87 -35.47 78.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.846 -0.161 . . . . 0.0 111.297 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -69.38 -48.08 62.25 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.652 0.263 . . . . 0.0 110.665 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.6 mt -59.99 -41.9 93.06 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.063 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -65.07 -41.55 94.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.977 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.84 -43.14 99.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.691 0.282 . . . . 0.0 110.706 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 t -62.23 -45.0 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.112 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.55 73.95 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.732 0.301 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -89.3 -30.09 18.7 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.931 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.39 -20.97 12.73 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -169.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.486 1.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.684 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -109.1 123.4 49.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.322 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.18 139.16 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -169.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.42 128.7 33.99 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.428 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.61 24.35 13.07 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.881 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.12 25.02 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.84 114.72 2.01 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 120.84 0.352 . . . . 0.0 111.246 -172.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.5 t30 69.76 15.07 8.06 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.89 -79.18 0.23 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.69 15.15 77.81 Favored Glycine 0 CA--C 1.556 2.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 113.421 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.2 tttp -70.57 143.31 51.61 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.495 0.648 . . . . 0.0 110.669 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.69 137.41 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.873 0.368 . . . . 0.0 111.121 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.23 156.24 40.58 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.224 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -65.39 -40.45 93.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.247 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -133.92 147.26 51.07 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.769 0.319 . . . . 0.0 110.725 -172.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -63.06 -28.81 70.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.626 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -64.5 -31.91 73.32 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 122.445 -0.159 . . . . 0.0 111.02 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -73.09 -37.53 66.71 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.731 0.3 . . . . 0.0 110.82 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.47 -47.1 87.19 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.814 0.34 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -58.12 -41.11 82.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 148' ' ' LEU . 10.2 t -59.97 -41.23 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 176.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.8 t60 -69.16 -45.03 71.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.255 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.5 -31.82 73.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.431 0.158 . . . . 0.0 111.252 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.88 55.05 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.959 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 -46.62 69.24 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.407 -0.183 . . . . 0.0 111.232 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -64.07 -36.4 83.89 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.988 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.4 -18.68 41.08 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 31.68 17.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.383 0.673 . . . . 0.0 111.902 -175.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.56 156.42 44.86 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.384 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.48 131.38 31.13 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.924 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.51 -36.94 0.78 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.568 2.179 . . . . 0.0 113.345 -170.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.55 96.69 7.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.535 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.93 143.03 30.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.814 0.34 . . . . 0.0 110.932 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.7 t -76.06 120.8 83.26 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.469 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.24 4.74 4.6 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.827 2.351 . . . . 0.0 113.2 -173.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -65.84 149.25 50.47 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.137 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.91 121.69 15.22 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.45 0.2 79.85 Favored Glycine 0 CA--C 1.546 2.019 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.723 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.21 152.5 24.0 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.776 0.322 . . . . 0.0 110.685 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -145.92 11.7 1.24 Allowed 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.27 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 146.84 53.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.902 0.382 . . . . 0.0 110.749 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -132.88 152.96 51.78 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -133.75 157.53 45.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.07 -169.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 124' ' ' VAL . 5.1 p -80.9 -28.02 36.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.43 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -128.98 154.87 80.39 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-O 120.731 0.301 . . . . 0.0 110.849 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.8 Cg_endo -66.76 -34.93 29.64 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.363 2.042 . . . . 0.0 112.082 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.5 p -64.01 -34.71 78.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -72.92 -38.14 66.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.0 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.94 -46.42 78.25 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 172.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.01 -40.11 79.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -72.35 -36.91 68.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.989 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -59.01 -33.72 71.05 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.796 0.331 . . . . 0.0 110.926 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.38 -30.55 66.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.749 0.309 . . . . 0.0 110.694 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.53 -25.71 64.73 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.345 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.83 -42.32 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-O 120.669 0.271 . . . . 0.0 110.538 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -76.27 -29.31 57.38 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.19 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.01 64.91 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.623 0.249 . . . . 0.0 110.895 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.68 173.98 48.15 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.408 -0.36 . . . . 0.0 112.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -124.09 94.67 45.1 Favored Pre-proline 0 C--O 1.237 0.43 0 C-N-CA 122.53 0.332 . . . . 0.0 110.109 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.48 139.7 13.01 Favored 'Trans proline' 0 N--CA 1.441 -1.592 0 C-N-CA 122.239 1.959 . . . . 0.0 112.19 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.86 141.3 53.23 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.035 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -139.84 11.66 2.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.433 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -68.1 -21.92 64.93 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.081 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -149.19 141.45 24.08 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.408 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -68.36 -21.4 64.73 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.555 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 67.2 m -99.45 17.17 20.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.149 0.18 . . . . 0.0 111.31 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -92.78 159.55 15.35 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.1 p -149.36 2.54 0.56 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -65.37 138.49 58.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.728 0.299 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.5 t -128.24 120.63 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.233 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.16 136.89 14.88 Favored Glycine 0 N--CA 1.476 1.335 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.147 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -65.96 -19.09 65.75 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.722 -0.281 . . . . 0.0 111.068 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.08 162.09 41.09 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.906 0.384 . . . . 0.0 110.668 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.1 t-105 -57.74 -40.94 80.85 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.374 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.6 p -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.168 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.7 -33.37 75.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.346 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -71.01 -48.09 55.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.658 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 177' ' ' TRP . 71.2 mt -60.15 -41.4 92.67 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.03 -43.39 95.74 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.973 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -61.85 -40.23 94.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.28 -45.11 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.95 71.59 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.757 -0.202 . . . . 0.0 111.268 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.26 -43.03 11.26 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 5.9 t -94.11 -20.45 19.88 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -169.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 CA--C 1.55 0.95 0 CA-C-O 121.087 0.47 . . . . 0.0 110.72 178.664 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 120.773 0.321 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.16 123.1 48.66 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.31 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.1 t -111.09 139.15 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.602 -169.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.17 128.93 34.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.467 171.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -111.11 24.89 12.35 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -61.62 155.12 23.21 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.09 170.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.05 114.68 2.04 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.851 0.358 . . . . 0.0 111.166 -172.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.4 t30 69.76 15.0 8.06 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.2 t -85.59 -79.02 0.25 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 120.698 0.285 . . . . 0.0 110.983 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.68 15.13 75.54 Favored Glycine 0 CA--C 1.553 2.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.39 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.1 tttp -69.74 142.65 53.23 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 117.509 0.654 . . . . 0.0 110.573 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.53 136.95 54.92 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.986 0.422 . . . . 0.0 111.19 -173.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -126.05 156.75 39.47 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.009 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -137.98 153.75 49.41 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.757 0.313 . . . . 0.0 111.272 -169.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -63.65 -28.8 70.16 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -63.89 -36.93 85.56 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 122.415 -0.178 . . . . 0.0 110.948 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.05 -35.63 66.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.676 0.275 . . . . 0.0 110.723 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.7 tp -62.18 -47.19 85.59 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 120.743 0.306 . . . . 0.0 110.66 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -61.95 -38.35 88.16 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.784 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.607 HG21 HD23 ' A' ' 148' ' ' LEU . 7.9 t -60.02 -41.13 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.9 t60 -68.51 -44.89 73.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.188 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.45 -31.72 72.96 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.394 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.84 54.33 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 120.415 0.15 . . . . 0.0 110.81 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.1 t -67.91 -46.67 70.92 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.265 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.41 -36.4 84.02 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.023 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.8 p -82.15 -18.48 42.67 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.95 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.51 30.81 15.85 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.4 0.68 . . . . 0.0 111.97 -176.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.88 156.34 43.82 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.31 . . . . 0.0 110.333 169.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.4 mt -96.4 131.35 28.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -79.04 -36.93 0.62 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.604 2.203 . . . . 0.0 113.276 -171.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.1 m-85 -96.79 92.54 6.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.98 0.419 . . . . 0.0 110.668 -169.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.19 140.19 30.45 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.96 119.85 78.3 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.443 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.55 5.29 4.78 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 C-N-CA 122.854 2.369 . . . . 0.0 113.221 -173.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.17 147.04 54.18 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.8 118.79 10.16 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 93.89 1.48 65.41 Favored Glycine 0 CA--C 1.544 1.905 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.691 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.3 t -110.99 154.04 24.71 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.86 0.362 . . . . 0.0 110.699 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.55 13.4 1.36 Allowed 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.25 145.27 56.45 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.713 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -133.49 151.75 51.81 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -134.05 160.49 37.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.302 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.9 p -84.99 -22.28 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.497 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.607 HD23 HG21 ' A' ' 124' ' ' VAL . 17.8 mt -138.49 153.59 72.75 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 120.703 0.287 . . . . 0.0 110.883 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 31.6 Cg_endo -67.14 -30.58 37.98 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.521 2.147 . . . . 0.0 112.206 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.3 p -64.02 -39.01 93.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -37.48 66.96 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.05 -44.48 92.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 120.774 0.321 . . . . 0.0 110.705 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.09 -38.61 91.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.939 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.9 mtm-85 -69.84 -33.74 72.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.772 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.24 -36.38 83.89 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 120.579 0.228 . . . . 0.0 110.777 172.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.74 -31.58 68.44 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.713 0.292 . . . . 0.0 110.986 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.0 -25.67 65.46 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.153 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.8 t -61.79 -42.18 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-O 120.859 0.362 . . . . 0.0 110.294 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -77.08 -32.32 56.61 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.0 64.82 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.678 0.275 . . . . 0.0 110.925 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.1 169.71 39.55 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.47 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.09 94.78 44.92 Favored Pre-proline 0 N--CA 1.468 0.445 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.22 145.02 15.0 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 122.452 2.101 . . . . 0.0 112.64 -171.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.41 143.22 48.61 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.058 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -142.08 13.1 2.03 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.2 -22.07 64.83 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.119 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -150.43 145.16 25.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.55 -29.01 69.57 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.497 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 56.8 m -97.23 19.25 13.37 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.189 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.8 t -113.23 133.65 54.98 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.167 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.2 m -132.87 15.75 4.28 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.465 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.05 138.41 57.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 43.2 t -128.32 121.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.96 142.4 18.33 Favored Glycine 0 N--CA 1.478 1.438 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.169 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.71 -17.75 62.19 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.428 0.156 . . . . 0.0 111.264 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.28 160.12 42.87 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.02 -38.79 76.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.216 -175.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.1 p -57.65 -46.24 84.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.165 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.17 -34.06 76.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.266 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -69.82 -48.1 60.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.601 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 67.1 mt -60.24 -41.31 92.9 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.99 -42.62 97.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -61.9 -40.91 97.09 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.879 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 11.4 t -61.98 -45.09 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.093 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.53 69.7 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 120.609 0.242 . . . . 0.0 111.089 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -89.42 -43.95 10.51 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.591 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.6 m -97.45 -18.3 19.14 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.085 0.469 . . . . 0.0 110.786 179.752 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -109.07 123.96 50.0 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.311 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.9 139.17 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.444 -169.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.84 127.64 32.72 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.387 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -109.59 24.08 13.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.94 153.89 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.75 114.68 1.98 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.9 t30 69.74 15.2 8.06 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.676 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.3 t -84.9 -78.63 0.24 Allowed 'General case' 0 CA--C 1.561 1.373 0 CA-C-O 120.759 0.314 . . . . 0.0 111.016 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.95 77.21 Favored Glycine 0 CA--C 1.554 2.478 0 CA-C-N 116.407 -0.36 . . . . 0.0 113.474 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.0 tttp -70.08 143.14 52.53 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 117.45 0.625 . . . . 0.0 110.63 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.29 137.49 54.84 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 120.967 0.413 . . . . 0.0 111.124 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.17 151.51 47.23 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.041 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.49 -34.49 78.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.03 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -137.81 150.16 46.96 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.153 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -65.2 -28.47 69.41 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.836 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.7 78.43 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 122.253 -0.279 . . . . 0.0 110.551 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -73.15 -36.69 66.7 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.573 0.225 . . . . 0.0 110.696 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.83 -47.19 86.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.769 0.318 . . . . 0.0 110.518 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -59.79 -40.14 87.32 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.642 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 148' ' ' LEU . 5.9 t -60.8 -41.14 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.932 175.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.8 t60 -68.7 -45.07 72.57 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.65 0.262 . . . . 0.0 111.241 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.63 -31.75 72.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.342 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.89 54.06 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.449 0.166 . . . . 0.0 110.845 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.78 -46.73 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 122.403 -0.185 . . . . 0.0 111.236 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.49 -36.39 84.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.089 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.2 p -82.17 -18.63 42.11 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.43 31.51 17.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.39 0.676 . . . . 0.0 111.913 -175.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.65 155.78 45.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 169.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -95.47 132.57 27.35 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.18 -169.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.78 -37.11 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.584 2.19 . . . . 0.0 113.235 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -97.66 92.05 5.7 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 -169.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -96.2 140.93 30.19 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.5 t -73.9 120.66 82.38 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.455 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -88.99 6.08 4.75 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 122.838 2.359 . . . . 0.0 113.318 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.37 143.38 57.07 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.005 0.431 . . . . 0.0 110.997 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 103.42 1.58 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.8 -1.52 28.85 Favored Glycine 0 CA--C 1.545 1.945 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.506 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.73 157.96 16.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.794 0.33 . . . . 0.0 110.636 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -145.78 10.79 1.22 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.433 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.76 144.41 56.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.818 0.342 . . . . 0.0 110.756 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -135.19 153.3 52.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.376 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -134.04 158.19 44.19 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.977 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.0 p -82.15 -28.05 32.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.56 153.04 81.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.636 0.255 . . . . 0.0 110.597 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.2 Cg_endo -66.68 -28.5 44.16 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.551 2.168 . . . . 0.0 112.445 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.5 p -67.0 -37.77 84.81 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -37.08 69.62 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.792 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.7 tp -63.64 -43.8 95.72 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.718 0.294 . . . . 0.0 110.591 171.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.4 -42.07 81.55 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.88 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -37.74 86.15 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.914 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.41 -37.93 89.17 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.501 0.191 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.71 -31.32 68.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -59.72 -25.73 65.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.153 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.7 -41.91 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 120.741 0.305 . . . . 0.0 110.454 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -77.06 -30.68 55.65 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.268 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.9 -28.97 64.93 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 120.615 0.245 . . . . 0.0 110.949 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.49 170.66 40.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 116.404 -0.362 . . . . 0.0 112.33 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.08 94.75 45.0 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.6 145.19 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.488 2.125 . . . . 0.0 112.599 -171.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 142.3 44.42 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.1 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -145.22 13.46 1.42 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.466 172.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -62.72 -26.77 68.85 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.739 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -143.31 142.76 31.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.014 171.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.43 -20.39 63.78 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -96.05 17.16 16.08 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.35 0.26 . . . . 0.0 111.25 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.41 134.85 53.72 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.229 175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.0 m -130.95 15.73 5.21 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.532 -172.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.41 139.13 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.34 123.54 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.65 139.04 15.63 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 121.316 -0.468 . . . . 0.0 112.229 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.26 -24.61 67.95 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.175 0.19 . . . . 0.0 110.993 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.32 162.24 39.36 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.719 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.466 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.8 t-105 -58.55 -39.38 80.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.299 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -57.09 -48.07 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.432 0.158 . . . . 0.0 111.089 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.43 -34.44 76.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.239 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -68.63 -48.15 64.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.665 0.269 . . . . 0.0 110.673 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 177' ' ' TRP . 51.7 mt -60.54 -41.47 94.56 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -65.2 -40.87 94.78 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.978 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -61.83 -41.89 98.35 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.716 0.293 . . . . 0.0 110.682 175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.6 t -63.52 -45.01 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.185 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.86 76.74 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.819 0.342 . . . . 0.0 111.138 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -89.33 -23.87 22.14 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.4 t -116.73 -19.55 9.89 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -177.389 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.848 0.356 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -109.17 121.98 46.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.206 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.72 139.01 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.587 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.66 128.28 33.83 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.487 171.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 23.89 13.73 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.78 153.98 27.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 170.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.42 114.7 2.12 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.218 -171.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 69.7 15.02 8.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.732 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.1 t -83.92 -78.95 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 120.669 0.271 . . . . 0.0 111.047 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.18 14.1 79.21 Favored Glycine 0 CA--C 1.554 2.504 0 CA-C-N 116.386 -0.37 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.2 tttp -69.5 143.1 53.57 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 117.539 0.67 . . . . 0.0 110.609 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.12 136.12 54.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.894 0.378 . . . . 0.0 111.143 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.25 156.06 40.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.057 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.406 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.57 -32.28 58.05 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.023 -178.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.406 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.7 mmtp -123.53 146.32 48.19 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 120.887 0.375 . . . . 0.0 110.986 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -64.22 -28.5 69.78 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -63.84 -32.55 74.1 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.451 -0.156 . . . . 0.0 110.957 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.95 -38.22 66.84 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 120.594 0.235 . . . . 0.0 110.711 172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.885 0.374 . . . . 0.0 110.504 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.13 -41.08 87.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.73 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 148' ' ' LEU . 10.0 t -60.96 -41.15 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 80.1 t60 -67.72 -44.54 77.41 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.257 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.52 -31.87 73.16 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.296 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -28.8 52.89 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.827 -0.169 . . . . 0.0 110.925 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -68.17 -46.89 69.5 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.452 -0.155 . . . . 0.0 111.18 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.22 -36.34 83.76 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.795 0.331 . . . . 0.0 111.031 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.4 p -81.84 -18.47 43.8 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.76 32.33 17.29 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.326 0.65 . . . . 0.0 111.861 -175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.58 155.43 46.53 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.685 0.279 . . . . 0.0 110.318 169.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.0 mt -94.52 131.49 30.83 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.074 -170.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 135' ' ' TYR . 9.2 Cg_endo -78.26 -35.2 1.32 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.575 2.184 . . . . 0.0 113.202 -171.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 77.3 m-85 -101.54 92.38 4.87 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.491 -169.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -96.41 140.28 31.3 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.5 t -73.89 118.96 73.61 Favored Pre-proline 0 CA--C 1.563 1.447 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -89.95 5.16 4.63 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.801 2.334 . . . . 0.0 113.231 -172.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.92 147.52 53.24 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.975 0.417 . . . . 0.0 111.095 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.29 120.72 13.28 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.67 -2.19 72.89 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.638 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.6 t -106.04 152.49 23.3 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.44 12.21 1.52 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.36 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 144.72 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 120.831 0.348 . . . . 0.0 110.729 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.4 153.92 51.2 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.289 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -134.07 157.17 46.83 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.128 -169.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 p -83.69 -26.12 30.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.408 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -130.43 155.09 81.56 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.281 0.233 . . . . 0.0 110.647 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.0 Cg_endo -67.57 -34.0 26.97 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.36 2.04 . . . . 0.0 112.144 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 p -62.46 -35.59 79.78 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.097 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -72.92 -37.94 67.04 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.912 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.93 -45.42 81.92 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.81 0.338 . . . . 0.0 110.778 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -59.63 -39.18 83.46 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.008 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -70.44 -38.06 74.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.814 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -60.93 -33.82 73.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.668 0.271 . . . . 0.0 111.065 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.45 -31.1 67.46 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 120.802 0.334 . . . . 0.0 110.696 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -59.52 -25.74 64.74 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.264 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.9 -42.78 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.592 0.234 . . . . 0.0 110.671 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.03 -27.36 54.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.269 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.35 64.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.707 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.5 174.7 50.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.529 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.14 94.73 44.91 Favored Pre-proline 0 C--O 1.236 0.359 0 C-N-CA 122.477 0.311 . . . . 0.0 110.231 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.14 140.41 13.99 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 122.205 1.937 . . . . 0.0 112.317 -174.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -70.98 142.01 51.01 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -142.77 12.5 1.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.83 -23.33 66.02 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.62 144.84 25.5 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.792 0.33 . . . . 0.0 110.613 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.71 -27.45 68.34 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.485 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.3 m -95.51 19.71 10.59 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.142 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.66 134.73 54.84 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.224 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.0 m -134.45 15.73 3.72 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.467 -172.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.19 141.86 57.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.642 0.258 . . . . 0.0 110.915 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.31 122.32 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 120.847 0.356 . . . . 0.0 110.409 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.39 133.42 11.82 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.115 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.06 -17.01 64.42 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 122.865 -0.197 . . . . 0.0 111.197 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.24 163.02 39.82 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.842 0.353 . . . . 0.0 110.491 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.424 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.4 t-105 -57.59 -41.13 80.59 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.326 -176.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.4 p -57.09 -46.56 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.419 0.152 . . . . 0.0 111.198 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.95 -34.51 77.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.262 -175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -70.14 -48.06 59.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.614 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 177' ' ' TRP . 62.0 mt -59.75 -41.82 91.85 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.85 0.357 . . . . 0.0 110.815 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.88 -43.63 95.44 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.91 -41.7 98.22 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.77 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.86 -45.03 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.052 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.82 78.41 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.075 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.35 -28.64 19.68 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.77 -20.87 12.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -169.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.858 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 CA-C-O 120.755 0.312 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -109.16 124.09 50.27 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.35 139.09 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.612 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.91 128.95 34.74 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.507 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -111.1 24.33 13.02 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.36 154.74 23.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.23 114.73 2.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -171.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.65 15.18 8.16 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.678 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.6 t -84.79 -78.94 0.23 Allowed 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 120.69 0.281 . . . . 0.0 111.005 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.2 78.91 Favored Glycine 0 CA--C 1.555 2.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 113.508 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.33 143.58 51.94 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.447 0.623 . . . . 0.0 110.656 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.58 137.32 54.93 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.803 0.335 . . . . 0.0 111.216 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -126.18 156.85 39.52 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.284 -174.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.3 -39.56 92.67 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.06 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -134.67 148.64 50.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -62.9 -28.65 70.2 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.483 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -63.95 -33.72 76.35 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 122.428 -0.17 . . . . 0.0 110.947 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -73.0 -36.42 67.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.66 0.266 . . . . 0.0 110.814 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.11 -47.1 86.13 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -58.5 -40.69 83.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.682 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 148' ' ' LEU . 10.8 t -59.39 -41.22 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.4 t60 -70.09 -45.01 67.87 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.181 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -66.3 -31.74 72.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.278 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.78 54.81 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.909 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.29 -46.47 70.23 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 122.474 -0.141 . . . . 0.0 111.262 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.39 83.94 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.092 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.2 p -82.91 -19.53 37.13 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.992 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 30.37 18.3 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 123.292 0.637 . . . . 0.0 111.999 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -128.92 156.25 44.02 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 169.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -95.39 132.13 28.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.171 -170.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.83 -36.1 0.86 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.559 2.173 . . . . 0.0 113.306 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.37 97.11 7.9 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.528 -169.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.58 138.43 40.94 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.3 t -73.87 121.29 84.81 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.413 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.98 4.88 3.72 Favored 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 122.847 2.365 . . . . 0.0 113.27 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -64.96 147.12 54.01 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.928 0.394 . . . . 0.0 111.121 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.39 120.67 13.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 91.88 -0.84 73.67 Favored Glycine 0 CA--C 1.545 1.955 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.639 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.6 t -110.53 155.14 22.71 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.85 0.357 . . . . 0.0 110.654 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -148.4 14.47 0.98 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 142.89 58.24 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 120.845 0.355 . . . . 0.0 110.682 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -134.59 149.71 50.63 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.11 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -133.06 158.5 42.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.396 -169.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.9 p -84.45 -27.17 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.421 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.657 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.37 155.88 79.37 Favored Pre-proline 0 N--CA 1.482 1.138 0 C-N-CA 122.289 0.236 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 17.9 Cg_endo -66.57 -36.14 26.89 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.284 1.989 . . . . 0.0 112.123 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.4 m -62.34 -34.39 76.56 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.714 0.292 . . . . 0.0 111.069 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -73.09 -36.86 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.959 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.73 -44.99 76.31 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.656 0.265 . . . . 0.0 110.66 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -57.12 -36.51 70.75 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 120.606 0.241 . . . . 0.0 110.812 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.32 -43.45 77.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.861 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -58.98 -34.02 71.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.321 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.57 -31.3 67.88 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 122.347 -0.221 . . . . 0.0 110.949 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -59.67 -26.63 65.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.099 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.77 -40.75 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 120.651 0.262 . . . . 0.0 110.833 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -77.21 -35.03 55.96 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.234 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.02 64.72 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 120.609 0.243 . . . . 0.0 111.102 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.26 174.86 47.65 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 112.661 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -124.28 94.73 44.66 Favored Pre-proline 0 C--O 1.235 0.311 0 C-N-CA 122.605 0.362 . . . . 0.0 110.353 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.31 141.36 16.03 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.307 2.004 . . . . 0.0 112.385 -174.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.46 140.61 48.37 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 12.16 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.421 174.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.91 -22.27 65.96 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.167 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.59 147.04 26.95 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.88 -29.35 69.77 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -96.39 19.12 12.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.607 0.242 . . . . 0.0 111.217 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.72 131.53 56.15 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 69.0 p -134.04 14.67 3.9 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -172.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.99 142.43 51.18 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.817 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 120.24 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.887 0.375 . . . . 0.0 110.295 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.63 133.13 11.6 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.047 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -15.5 61.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 122.755 -0.262 . . . . 0.0 111.374 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.96 163.23 39.7 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.755 0.312 . . . . 0.0 110.341 176.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 30.7 t-105 -57.21 -40.35 77.3 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.5 p -57.94 -47.97 81.32 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.32 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.21 -34.59 76.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.223 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.86 -47.99 60.55 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.563 0.221 . . . . 0.0 110.738 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 177' ' ' TRP . 44.0 mt -60.04 -41.34 92.06 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.987 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -64.03 -42.87 96.96 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.89 -42.1 98.68 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.683 0.278 . . . . 0.0 110.763 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.97 -45.01 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.061 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.68 -33.46 75.68 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.004 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.27 -26.77 20.99 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.02 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 4.4 t -113.16 -21.68 10.9 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.561 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 120.841 0.353 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.04 123.04 48.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.309 -176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.4 139.11 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.657 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.404 ' HA ' HD11 ' A' ' 122' ' ' LEU . 46.0 t -77.59 129.45 35.64 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.447 171.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -111.49 24.52 12.69 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.869 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.11 25.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.0 114.75 2.06 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.884 0.374 . . . . 0.0 111.222 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.1 t30 69.75 15.16 8.06 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.69 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.28 -78.87 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.679 0.276 . . . . 0.0 110.967 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.53 14.44 77.53 Favored Glycine 0 CA--C 1.553 2.459 0 CA-C-N 116.368 -0.378 . . . . 0.0 113.375 174.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.5 tttp -70.27 143.04 52.22 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 117.528 0.664 . . . . 0.0 110.608 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.27 137.86 54.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -173.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -126.09 151.1 47.66 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.061 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 117' ' ' LYS . 26.2 ttpt -63.84 -34.43 77.91 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -137.0 147.44 46.26 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.861 0.362 . . . . 0.0 111.312 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -63.92 -28.84 70.1 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.637 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -63.94 -34.81 78.81 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 122.406 -0.183 . . . . 0.0 110.994 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.16 -36.11 66.56 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.629 0.252 . . . . 0.0 110.707 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 107' ' ' CYS . 32.7 tp -60.11 -47.17 87.01 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 120.676 0.274 . . . . 0.0 110.457 175.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.59 -43.79 84.91 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.656 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.593 HG21 HD23 ' A' ' 148' ' ' LEU . 12.4 t -58.69 -41.09 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.947 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.6 t60 -68.41 -45.07 73.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.551 0.215 . . . . 0.0 111.145 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.06 -31.81 73.21 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.471 0.176 . . . . 0.0 111.349 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.82 53.84 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.828 175.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -67.91 -47.0 69.99 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.393 -0.192 . . . . 0.0 111.327 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.16 -36.43 84.04 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.805 0.336 . . . . 0.0 111.065 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.7 p -81.79 -18.42 44.16 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.99 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.81 32.35 17.45 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.336 0.654 . . . . 0.0 111.843 -175.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.25 155.79 45.71 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.7 mt -95.61 132.58 27.16 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 120.656 0.265 . . . . 0.0 111.139 -169.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -79.09 -36.78 0.65 Allowed 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.56 2.174 . . . . 0.0 113.265 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 84.8 m-85 -99.48 93.64 5.99 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.482 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -100.88 142.52 32.23 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.91 0.386 . . . . 0.0 111.031 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.89 122.99 88.9 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.513 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.68 4.22 3.49 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 122.811 2.341 . . . . 0.0 113.439 -171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -70.43 150.89 45.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.997 0.427 . . . . 0.0 111.014 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.35 134.61 52.94 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 80.37 2.62 89.52 Favored Glycine 0 CA--C 1.55 2.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.733 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -118.93 152.17 36.81 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.834 0.35 . . . . 0.0 110.704 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.24 15.9 0.82 Allowed 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.276 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -65.02 148.19 52.1 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.705 0.288 . . . . 0.0 110.646 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -134.5 151.89 51.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.05 160.12 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.09 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.4 p -86.2 -18.35 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 124' ' ' VAL . 21.1 mt -140.47 153.04 68.0 Favored Pre-proline 0 N--CA 1.472 0.663 0 CA-C-O 120.764 0.316 . . . . 0.0 111.098 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 27.6 Cg_endo -66.98 -33.79 31.34 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.716 2.277 . . . . 0.0 112.409 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.0 p -63.8 -37.45 87.42 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -72.44 -39.13 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.987 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.57 -45.73 91.56 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.16 -38.37 79.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.944 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.26 -40.61 81.86 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.856 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -61.0 -33.89 73.94 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -58.41 -31.08 67.38 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 110.695 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.35 -25.74 64.47 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.084 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.78 -42.79 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-O 120.609 0.242 . . . . 0.0 110.47 175.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.05 -30.73 55.77 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.324 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -28.92 64.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.48 169.92 37.44 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.295 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.07 94.73 45.05 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.87 144.93 13.95 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.45 2.1 . . . . 0.0 112.634 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 140.7 49.96 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.111 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -142.04 12.3 2.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.538 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -68.27 -23.0 64.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.15 145.3 26.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.802 0.334 . . . . 0.0 110.722 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -27.13 67.55 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.53 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.6 m -97.25 20.43 11.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.311 0.244 . . . . 0.0 111.128 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.5 t -116.53 134.48 54.8 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.223 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.2 m -133.7 16.32 3.96 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.504 -172.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.72 140.3 57.58 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.666 0.269 . . . . 0.0 110.83 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.31 123.62 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.424 170.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.7 140.35 15.91 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 121.276 -0.487 . . . . 0.0 112.113 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -67.63 -19.96 65.28 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 122.873 -0.193 . . . . 0.0 111.078 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.19 162.61 39.65 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.644 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.417 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.8 t-105 -57.15 -40.5 77.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.387 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.9 p -57.6 -46.02 84.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.079 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.75 -36.04 81.77 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.258 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -68.84 -48.04 64.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.64 0.257 . . . . 0.0 110.686 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 177' ' ' TRP . 34.9 mt -61.09 -39.64 90.71 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -63.99 -43.14 96.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.98 -42.79 99.53 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.795 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -62.83 -45.06 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.153 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.71 72.94 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.907 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -89.32 -31.02 18.01 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.057 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 79.5 m -110.4 -19.85 12.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -169.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.169 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 120.863 0.363 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -109.19 122.78 48.05 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.312 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.6 139.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.634 -169.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.4 127.64 32.9 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.482 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.71 23.93 13.75 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.2 t80 -61.35 153.87 25.55 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 170.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.95 114.68 2.02 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 69.71 15.09 8.1 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.727 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.82 -78.43 0.23 Allowed 'General case' 0 CA--C 1.563 1.467 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.97 13.21 79.23 Favored Glycine 0 CA--C 1.553 2.464 0 CA-C-N 116.35 -0.387 . . . . 0.0 113.433 174.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.48 143.27 51.78 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.462 0.631 . . . . 0.0 110.555 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.08 137.24 54.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.977 0.418 . . . . 0.0 111.104 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -126.1 151.34 47.35 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.066 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.92 -34.03 76.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.091 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -137.16 148.72 46.79 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.38 -172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -65.33 -28.72 69.5 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.523 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.38 -38.74 92.08 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.506 0.194 . . . . 0.0 110.797 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -72.97 -34.1 66.27 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.667 0.27 . . . . 0.0 110.639 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.67 -47.08 85.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -61.86 -37.33 84.1 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.722 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 148' ' ' LEU . 5.3 t -60.52 -41.2 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 175.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 72.9 t60 -68.31 -44.93 74.3 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.644 0.259 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -64.47 -31.74 73.08 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.362 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -28.81 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 116.804 -0.18 . . . . 0.0 110.799 175.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.1 t -67.77 -47.14 70.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.264 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 94.6 m-70 -64.06 -36.37 83.78 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.002 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.7 p -81.66 -18.0 46.08 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.12 32.72 16.33 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.306 0.642 . . . . 0.0 111.942 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -130.6 156.15 45.35 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.7 mt -96.79 132.01 26.89 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.147 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.8 Cg_endo -79.91 -38.67 0.34 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.501 2.134 . . . . 0.0 113.304 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.6 m-85 -93.66 93.41 8.02 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.491 -170.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.01 143.12 28.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.776 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 39.6 t -74.03 121.12 84.45 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.349 175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -88.62 4.25 5.57 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.27 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -63.95 143.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.988 0.423 . . . . 0.0 111.044 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.68 113.94 5.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -0.67 55.33 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.547 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.4 t -106.87 157.63 17.62 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.799 0.333 . . . . 0.0 110.655 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 11.52 0.91 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.445 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.05 146.73 54.02 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.754 0.311 . . . . 0.0 110.665 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 36.9 mtp85 -135.04 150.84 50.36 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.491 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -134.02 159.18 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -169.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -85.61 -19.54 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.542 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 124' ' ' VAL . 19.2 mt -143.67 153.77 58.59 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.2 Cg_endo -64.68 -24.97 61.8 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.4 p -66.53 -40.98 89.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.536 0.335 . . . . 0.0 111.217 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.03 -35.27 66.72 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.082 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.91 -44.2 90.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.653 0.263 . . . . 0.0 110.55 171.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -54.89 -44.67 74.33 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.892 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -40.52 91.5 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.752 176.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.15 -39.21 91.85 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.501 0.191 . . . . 0.0 111.277 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -31.51 68.3 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.579 0.228 . . . . 0.0 110.823 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -59.73 -25.84 65.16 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.152 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -42.58 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.736 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -76.94 -30.17 55.94 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.283 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.06 65.04 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.71 174.93 50.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.554 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.18 94.84 44.69 Favored Pre-proline 0 C--O 1.237 0.438 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.83 142.42 15.83 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.356 2.037 . . . . 0.0 112.338 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.7 t -73.65 142.48 46.48 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -142.74 13.23 1.9 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.569 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.68 -22.65 65.28 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.6 144.83 25.52 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.873 0.368 . . . . 0.0 110.686 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.75 -26.46 67.74 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.467 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.0 m -97.65 20.31 12.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.259 0.223 . . . . 0.0 111.132 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 13.0 t -115.14 134.51 55.1 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.26 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.7 m -134.05 16.51 3.83 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.437 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.33 141.7 58.16 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.648 0.261 . . . . 0.0 110.883 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.35 122.37 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 120.884 0.373 . . . . 0.0 110.266 170.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.86 131.45 10.4 Favored Glycine 0 N--CA 1.471 0.999 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.054 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -64.11 -18.04 64.03 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 120.617 0.246 . . . . 0.0 111.238 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 161.43 42.1 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.82 0.343 . . . . 0.0 110.337 176.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.442 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.2 -39.87 80.11 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.345 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.1 p -56.94 -47.4 80.75 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.497 0.189 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.94 -34.57 76.35 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.273 -175.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.05 -48.04 59.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.59 0.234 . . . . 0.0 110.56 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 177' ' ' TRP . 53.1 mt -60.19 -41.47 93.01 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -69.93 -36.86 75.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.546 0.213 . . . . 0.0 110.714 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.74 -44.99 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.04 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.21 -31.7 73.0 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.13 -176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -89.17 -36.6 15.59 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.716 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.1 t -101.24 -22.65 14.59 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -169.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 CA--C 1.551 0.989 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -177.483 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.723 0 CA-C-O 120.774 0.321 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -109.11 122.14 46.64 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.263 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.96 139.08 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.872 -168.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.412 ' HA ' HD11 ' A' ' 122' ' ' LEU . 53.7 t -78.48 130.12 35.67 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.493 170.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -112.34 24.25 12.76 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.37 152.95 28.11 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.92 114.76 2.05 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 111.319 -171.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.83 15.07 7.98 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.726 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.75 -78.82 0.24 Allowed 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 120.705 0.288 . . . . 0.0 111.039 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.11 78.69 Favored Glycine 0 CA--C 1.552 2.405 0 CA-C-N 116.409 -0.36 . . . . 0.0 113.448 173.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.9 tttp -70.89 143.66 50.92 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.471 0.635 . . . . 0.0 110.693 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.47 136.63 54.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.857 0.361 . . . . 0.0 111.14 -173.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -126.19 155.67 41.4 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.146 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.408 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.14 -31.92 58.84 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -178.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.4 mmtp -124.04 146.57 48.47 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 120.778 0.323 . . . . 0.0 111.07 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -65.37 -28.63 69.41 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.531 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.99 -32.42 73.95 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 122.327 -0.233 . . . . 0.0 110.902 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -71.89 -37.84 70.08 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.523 0.202 . . . . 0.0 110.634 171.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 107' ' ' CYS . 33.1 tp -61.01 -47.1 88.0 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 176.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.32 -43.57 83.43 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.662 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG21 HD13 ' A' ' 148' ' ' LEU . 2.7 t -59.4 -41.29 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.003 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 81.1 t60 -68.79 -44.61 73.22 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.099 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.12 -36.42 81.7 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -54.95 -33.26 62.13 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 176.085 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -63.76 -34.95 79.03 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 122.454 -0.154 . . . . 0.0 111.409 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.78 -36.25 59.85 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 44.4 p -80.81 -20.84 41.61 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 53.25 30.84 10.62 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.392 0.677 . . . . 0.0 112.013 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -124.63 145.52 49.59 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 44.5 mt -91.98 130.83 36.97 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-O 120.822 0.344 . . . . 0.0 111.417 -168.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -77.2 -35.7 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.661 2.241 . . . . 0.0 113.149 -171.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -98.16 91.33 5.21 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.393 -170.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -94.81 141.57 28.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.86 120.16 79.85 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -92.74 5.87 3.21 Favored 'Trans proline' 0 CA--C 1.55 1.316 0 C-N-CA 122.811 2.341 . . . . 0.0 113.274 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -73.78 147.67 43.23 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.01 0.433 . . . . 0.0 111.066 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.21 126.85 29.06 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.48 79.41 Favored Glycine 0 CA--C 1.545 1.951 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.739 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -115.24 152.87 31.91 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -143.58 17.2 1.84 Allowed 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 146.89 53.32 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.821 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -137.09 149.89 47.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 120.826 0.346 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -134.05 157.8 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.114 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 p -83.86 -27.19 28.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.488 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 124' ' ' VAL . 3.3 mm? -132.19 156.94 79.5 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 122.369 0.267 . . . . 0.0 110.354 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 28.5 Cg_endo -66.94 -27.56 42.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.349 2.033 . . . . 0.0 112.287 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.5 p -61.89 -43.04 99.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.704 0.288 . . . . 0.0 110.988 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -39.44 83.93 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp -67.02 -47.17 72.25 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.707 0.289 . . . . 0.0 110.87 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -58.94 -37.29 76.37 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -72.45 -37.49 68.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.989 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -63.16 -33.97 76.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.301 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.57 -30.33 67.07 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.578 0.227 . . . . 0.0 110.777 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.39 -25.8 64.58 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.201 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.79 -42.48 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.732 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -76.87 -28.23 55.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.166 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.682 0.277 . . . . 0.0 110.837 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.53 173.43 48.19 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.512 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.11 94.64 45.11 Favored Pre-proline 0 C--O 1.236 0.381 0 C-N-CA 122.482 0.313 . . . . 0.0 110.237 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.92 140.0 12.45 Favored 'Trans proline' 0 N--CA 1.443 -1.455 0 C-N-CA 122.265 1.977 . . . . 0.0 112.226 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 t -70.87 141.71 51.22 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -142.97 12.44 1.83 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.421 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.01 -22.9 65.88 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -149.21 145.0 26.91 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 -28.11 69.48 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.383 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -93.41 13.99 19.92 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.429 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.71 158.02 15.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 120.676 0.274 . . . . 0.0 110.322 173.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.6 p -152.23 6.79 0.44 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.25 141.21 58.71 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.699 0.285 . . . . 0.0 110.984 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.26 122.17 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 169.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.06 134.13 12.37 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.092 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.83 -16.28 64.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 122.847 -0.208 . . . . 0.0 111.235 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 163.09 39.53 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 120.869 0.366 . . . . 0.0 110.503 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.43 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.1 t-105 -57.67 -41.5 81.69 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.285 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.7 p -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.449 0.166 . . . . 0.0 111.219 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.93 -36.0 80.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.286 -175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -69.24 -47.98 63.18 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.56 0.219 . . . . 0.0 110.598 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.8 mt -59.72 -40.67 88.74 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.689 0.28 . . . . 0.0 110.988 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -66.01 -42.39 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.043 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -61.9 -42.06 98.63 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.705 0.288 . . . . 0.0 110.559 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 8.1 t -62.91 -45.03 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.048 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.63 84.01 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.069 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.26 -22.64 22.61 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.13 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -116.99 -21.59 8.85 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.227 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 120.847 0.355 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.15 123.38 49.11 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.14 139.02 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.664 -169.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.9 t -77.85 128.02 33.31 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.481 171.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -110.18 24.25 13.25 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.91 153.93 27.71 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.88 114.73 2.02 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -172.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.08 8.06 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.51 -78.94 0.25 Allowed 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 120.739 0.304 . . . . 0.0 110.935 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.39 15.97 77.26 Favored Glycine 0 CA--C 1.553 2.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.459 174.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.26 142.68 52.28 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.467 0.634 . . . . 0.0 110.599 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.41 136.88 54.99 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.933 0.397 . . . . 0.0 111.194 -173.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.21 156.13 40.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.951 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.45 -44.39 97.2 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.011 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -139.17 155.74 47.62 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -171.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -63.75 -28.65 70.03 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.12 -169.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.8 85.08 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 122.285 -0.259 . . . . 0.0 110.696 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.01 -35.74 66.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.766 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.15 -47.2 85.6 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.59 0.233 . . . . 0.0 110.552 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -61.02 -38.64 86.81 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.73 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.619 HG21 HD23 ' A' ' 148' ' ' LEU . 11.0 t -60.22 -41.31 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.425 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.14 -44.98 71.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.244 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -65.82 -31.77 72.92 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.426 0.155 . . . . 0.0 111.291 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.8 54.92 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.103 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.6 p -69.63 -40.83 76.32 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.379 -0.201 . . . . 0.0 111.399 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.73 -36.42 78.4 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -82.29 -18.79 41.1 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.0 30.54 16.34 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.331 0.652 . . . . 0.0 111.978 -176.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -128.94 157.08 42.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.391 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 41.9 mt -96.5 131.19 28.82 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 120.644 0.259 . . . . 0.0 111.316 -169.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -78.63 -37.5 0.65 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.5 2.133 . . . . 0.0 113.326 -170.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -96.72 95.48 7.95 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.866 0.365 . . . . 0.0 110.623 -169.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.23 142.93 29.29 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.37 122.09 86.1 Favored Pre-proline 0 CA--C 1.564 1.486 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -91.42 5.17 3.92 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.862 2.375 . . . . 0.0 113.23 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -63.77 143.66 57.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.37 107.44 2.42 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.94 -1.55 33.67 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.523 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -112.43 157.49 20.99 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -149.85 13.01 0.79 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.56 -176.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -66.57 149.1 50.97 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.744 0.307 . . . . 0.0 110.808 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -133.29 152.19 51.92 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 64.6 m-85 -134.1 163.99 28.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.414 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.6 m -84.99 -25.31 27.82 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.696 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 124' ' ' VAL . 17.3 mt -136.73 154.78 76.71 Favored Pre-proline 0 N--CA 1.473 0.702 0 CA-C-O 120.692 0.282 . . . . 0.0 111.015 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.5 Cg_endo -66.08 -34.97 35.64 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.527 2.151 . . . . 0.0 112.162 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 89.1 p -64.7 -34.28 77.93 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.005 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -39.15 67.46 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.8 tp -66.18 -45.38 81.07 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.759 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.83 -39.18 77.07 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -68.97 -37.72 78.96 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.898 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 79.6 t60 -63.37 -38.78 92.48 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.48 0.181 . . . . 0.0 111.112 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.75 -31.28 68.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.611 0.243 . . . . 0.0 110.609 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -59.63 -25.7 64.88 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.075 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.71 -42.38 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.35 -30.96 57.83 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.178 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.91 -29.08 65.04 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 120.644 0.259 . . . . 0.0 111.08 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.28 168.45 38.85 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 112.411 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.05 144.92 15.2 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.43 2.087 . . . . 0.0 112.493 -172.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -71.75 140.16 49.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.022 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.69 12.02 2.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.466 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -68.26 -21.88 64.79 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.21 143.8 25.22 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.29 -27.67 68.79 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.358 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 63.9 m -98.27 16.86 20.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.272 0.229 . . . . 0.0 111.27 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.87 162.42 15.47 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 171.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.5 p -149.87 0.76 0.48 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -65.3 136.56 56.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.731 0.3 . . . . 0.0 111.185 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.33 120.66 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.223 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.19 141.5 18.37 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.249 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.01 -21.25 65.05 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.523 0.201 . . . . 0.0 111.14 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.54 161.08 41.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 120.937 0.398 . . . . 0.0 110.734 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.0 t-105 -57.89 -40.09 79.44 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.328 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.7 p -57.4 -45.16 84.82 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.095 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.34 -33.72 76.15 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.359 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.71 -48.14 49.29 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 110.682 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 60.8 mt -60.32 -40.0 89.03 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -65.42 -42.15 92.81 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -61.88 -40.36 95.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.718 0.294 . . . . 0.0 110.667 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.6 t -61.59 -44.97 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.152 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.73 71.7 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.786 0.326 . . . . 0.0 111.024 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.14 -28.79 19.81 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.868 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.0 m -114.34 -17.41 11.81 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.625 0.25 . . . . 0.0 111.519 -177.704 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.853 0.359 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -109.11 123.16 48.74 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.351 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.91 138.98 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.694 -169.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.71 128.39 33.98 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.489 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -110.38 24.18 13.32 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.63 154.74 24.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.71 114.77 2.2 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-O 120.85 0.357 . . . . 0.0 111.15 -171.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.9 t30 69.71 15.11 8.11 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.727 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.81 -78.65 0.24 Allowed 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.13 13.63 79.35 Favored Glycine 0 CA--C 1.555 2.531 0 CA-C-N 116.29 -0.414 . . . . 0.0 113.431 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.65 143.21 53.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 117.516 0.658 . . . . 0.0 110.693 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.81 136.96 55.04 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.901 0.381 . . . . 0.0 111.156 -173.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -126.2 155.93 41.01 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.252 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -64.64 -40.39 95.37 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -134.15 148.02 50.88 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 -172.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -61.77 -28.65 69.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.505 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.87 -35.03 79.31 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 122.409 -0.182 . . . . 0.0 110.925 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -73.08 -37.0 66.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.61 0.243 . . . . 0.0 110.735 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.66 -47.16 86.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.836 0.35 . . . . 0.0 110.472 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.71 -40.71 84.5 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.734 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.669 HG21 HD13 ' A' ' 148' ' ' LEU . 9.6 t -60.16 -41.19 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.838 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.0 t60 -69.16 -45.05 70.98 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.573 0.225 . . . . 0.0 111.268 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -65.89 -31.73 72.83 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.354 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -28.82 54.11 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 120.427 0.156 . . . . 0.0 110.879 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -67.91 -46.82 70.48 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 122.402 -0.186 . . . . 0.0 111.227 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.37 83.89 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.769 0.318 . . . . 0.0 111.011 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.27 -18.59 41.86 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.88 30.8 16.56 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.358 0.663 . . . . 0.0 112.0 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -129.43 155.93 44.9 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.339 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.2 mt -95.6 132.48 27.37 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-O 120.677 0.275 . . . . 0.0 111.108 -169.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.69 -36.48 0.83 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.475 2.117 . . . . 0.0 113.206 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.45 94.09 6.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.914 0.387 . . . . 0.0 110.6 -169.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.15 139.49 33.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.634 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.2 t -73.91 121.01 84.15 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.606 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.59 4.34 4.0 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.801 2.334 . . . . 0.0 113.449 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -69.09 147.59 51.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 127.98 33.86 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.748 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.14 -0.04 83.44 Favored Glycine 0 CA--C 1.547 2.082 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.658 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.7 149.63 32.65 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -141.06 12.48 2.22 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -65.88 145.69 55.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -134.15 152.74 51.97 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -134.09 157.92 44.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.95 -169.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 p -82.38 -27.41 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.419 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.669 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.63 155.23 80.62 Favored Pre-proline 0 N--CA 1.477 0.912 0 O-C-N 123.081 0.238 . . . . 0.0 110.783 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 23.0 Cg_endo -67.3 -34.76 26.29 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.442 2.095 . . . . 0.0 112.068 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.9 p -62.24 -35.32 78.57 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.08 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -73.01 -37.58 66.89 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.036 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.74 -46.74 74.47 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.729 0.299 . . . . 0.0 110.75 173.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.5 81.1 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.843 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -69.5 -40.83 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.889 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.89 -33.77 72.27 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.032 174.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.42 -31.2 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 120.561 0.22 . . . . 0.0 110.887 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -59.57 -25.7 64.79 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.262 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.85 -41.24 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.705 0.288 . . . . 0.0 110.598 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -77.11 -32.67 56.7 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.287 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.02 64.93 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.7 0.286 . . . . 0.0 111.0 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.79 174.13 48.06 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.61 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.545 0.338 . . . . 0.0 110.244 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.95 142.21 15.48 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.356 2.037 . . . . 0.0 112.39 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.45 140.22 49.95 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -139.75 11.7 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.29 -20.8 63.9 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.125 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -151.29 145.42 25.33 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.831 0.348 . . . . 0.0 110.667 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.61 -27.58 68.5 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.554 -175.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -98.99 20.13 13.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.561 0.22 . . . . 0.0 111.194 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.6 t -114.48 130.31 56.72 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.174 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -131.48 15.66 4.96 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.536 -171.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.66 141.58 56.62 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.603 0.24 . . . . 0.0 110.918 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.5 t -128.36 122.37 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-O 120.846 0.355 . . . . 0.0 110.346 170.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.72 133.22 11.63 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.114 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -66.8 -15.03 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 122.754 -0.262 . . . . 0.0 111.297 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 162.28 40.97 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.841 0.353 . . . . 0.0 110.411 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 29.9 t-105 -57.64 -39.78 77.76 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.275 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.8 p -58.19 -46.69 85.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.477 0.18 . . . . 0.0 111.186 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.88 -35.26 79.42 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.264 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -69.33 -48.18 62.2 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.553 0.216 . . . . 0.0 110.622 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 177' ' ' TRP . 39.6 mt -60.62 -40.93 93.71 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.651 0.263 . . . . 0.0 110.975 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.92 -44.08 93.98 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.8 -45.11 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.084 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.92 71.61 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.795 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.24 -22.85 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.056 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 -19.02 6.17 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -169.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.564 0.221 . . . . 0.0 111.58 -178.084 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -109.27 122.81 48.15 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.438 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.83 139.03 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.485 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -79.43 128.35 33.24 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.523 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.48 24.06 13.45 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.948 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.18 154.68 22.67 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.197 170.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.41 114.76 1.95 Allowed 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.762 0.315 . . . . 0.0 111.162 -172.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.8 15.08 8.01 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.616 174.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.0 t -85.16 -78.22 0.26 Allowed 'General case' 0 CA--C 1.565 1.536 0 CA-C-O 120.651 0.262 . . . . 0.0 111.071 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.82 14.49 73.01 Favored Glycine 0 CA--C 1.553 2.461 0 CA-C-N 116.383 -0.372 . . . . 0.0 113.457 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.3 tttp -70.13 144.56 52.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 117.457 0.629 . . . . 0.0 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.93 136.56 54.91 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.35 160.03 31.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.12 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -61.48 -47.08 87.27 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.232 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -137.3 156.85 47.76 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -60.6 -28.34 68.42 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.542 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -63.7 -37.23 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 122.291 -0.255 . . . . 0.0 110.777 178.199 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.09 -37.77 66.62 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.683 0.277 . . . . 0.0 110.68 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.41 -47.09 87.36 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.837 0.351 . . . . 0.0 110.575 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.63 -37.18 80.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 148' ' ' LEU . 11.2 t -62.71 -41.23 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.9 t60 -69.5 -45.01 69.92 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.212 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.5 -31.8 73.07 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.195 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.86 55.04 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.806 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -69.22 -46.31 67.7 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.361 -0.212 . . . . 0.0 111.204 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -63.88 -36.27 83.38 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.071 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 74.0 p -83.24 -19.89 35.57 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 31.83 20.64 Favored 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 123.291 0.637 . . . . 0.0 111.896 -175.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.62 156.37 45.0 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 169.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -94.56 131.97 29.76 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-O 120.659 0.266 . . . . 0.0 111.038 -170.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.4 Cg_endo -78.82 -36.69 0.74 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.551 2.167 . . . . 0.0 113.266 -171.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 78.4 m-85 -100.87 94.05 5.84 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.549 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -100.81 141.76 33.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.06 121.06 84.29 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.489 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.57 5.52 3.77 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.857 2.371 . . . . 0.0 113.313 -172.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -68.41 151.97 46.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.939 0.4 . . . . 0.0 111.042 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.74 130.75 44.19 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.966 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.21 2.25 90.39 Favored Glycine 0 CA--C 1.549 2.18 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.767 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.9 t -114.48 150.95 34.03 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.844 0.354 . . . . 0.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -148.15 15.27 1.04 Allowed 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.23 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.02 146.21 53.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.752 0.311 . . . . 0.0 110.619 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -134.34 152.62 51.91 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.355 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -134.04 158.75 42.76 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.977 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 p -83.09 -27.97 29.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.47 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -128.99 155.84 79.06 Favored Pre-proline 0 N--CA 1.48 1.03 0 CA-C-O 120.61 0.243 . . . . 0.0 110.695 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.3 Cg_endo -67.14 -33.77 30.31 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.376 2.051 . . . . 0.0 112.164 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.4 p -62.37 -35.76 80.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.718 0.294 . . . . 0.0 111.062 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -73.08 -37.14 66.89 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.87 -45.64 77.48 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 172.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -58.15 -39.54 79.06 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.867 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -69.89 -40.16 75.84 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.969 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.12 -33.7 71.18 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.43 -30.99 67.32 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.593 0.235 . . . . 0.0 110.847 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -59.43 -25.86 64.69 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.153 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -43.13 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 120.608 0.242 . . . . 0.0 110.776 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -77.09 -29.69 55.07 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.294 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.83 -26.99 63.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 120.742 0.306 . . . . 0.0 110.777 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.28 173.66 49.84 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.403 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -124.06 94.68 45.15 Favored Pre-proline 0 C--O 1.236 0.365 0 C-N-CA 122.478 0.311 . . . . 0.0 110.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.8 142.1 13.9 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.347 2.032 . . . . 0.0 112.332 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.19 139.31 48.15 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.053 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.5 11.78 2.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.439 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.46 -21.76 64.61 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.42 143.33 24.73 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.34 -23.71 66.4 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.589 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.8 m -101.56 22.04 13.36 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.593 0.235 . . . . 0.0 111.115 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.64 132.01 56.76 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.148 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.1 m -131.8 16.15 4.78 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.509 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -62.09 141.32 58.19 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.661 0.267 . . . . 0.0 110.85 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.3 123.09 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 170.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.43 133.32 11.71 Favored Glycine 0 N--CA 1.472 1.094 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.996 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.33 -14.79 63.24 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.74 -0.271 . . . . 0.0 111.213 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.67 42.21 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.752 0.31 . . . . 0.0 110.367 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.37 -40.22 77.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.277 -176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 p -57.66 -47.01 83.47 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.863 -0.153 . . . . 0.0 111.198 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.18 -35.47 78.94 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.415 0.15 . . . . 0.0 111.199 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.46 -48.23 61.48 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.646 0.26 . . . . 0.0 110.648 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 43.0 mt -60.09 -40.98 91.5 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -63.97 -43.79 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -61.96 -42.89 99.63 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.866 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.9 t -62.11 -45.09 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.124 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.31 -32.46 73.89 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 120.717 0.294 . . . . 0.0 110.984 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.17 -28.66 19.86 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.925 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.02 -20.21 12.05 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.213 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.824 0.345 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.09 124.53 50.92 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.306 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.01 139.11 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.986 0.422 . . . . 0.0 111.628 -169.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.2 t -77.8 127.02 31.74 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.397 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -109.08 23.82 14.0 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.1 t80 -61.73 153.38 28.52 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.94 114.71 2.03 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.75 14.98 8.08 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.69 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.63 -79.63 0.22 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.674 0.273 . . . . 0.0 110.977 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.45 15.22 80.46 Favored Glycine 0 CA--C 1.555 2.573 0 CA-C-N 116.354 -0.385 . . . . 0.0 113.455 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.8 tttp -71.09 143.35 50.68 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 117.498 0.649 . . . . 0.0 110.688 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 137.51 54.86 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -126.2 154.68 42.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.273 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -66.93 -37.97 85.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.313 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -135.63 148.98 49.2 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.697 0.284 . . . . 0.0 110.803 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -66.31 -28.97 69.09 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -170.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -30.42 71.42 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 122.379 -0.201 . . . . 0.0 110.78 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -73.16 -37.55 66.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.59 0.233 . . . . 0.0 110.683 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.95 -47.13 86.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.693 0.282 . . . . 0.0 110.492 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.27 -39.32 86.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.2 -41.17 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 175.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.416 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.7 t60 -69.53 -44.99 69.85 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.214 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.34 -31.87 72.92 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.334 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.9 55.08 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.888 175.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.74 -46.56 71.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 122.481 -0.137 . . . . 0.0 111.197 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 95.3 m-70 -64.77 -36.3 83.87 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.839 0.352 . . . . 0.0 111.142 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 p -82.34 -18.85 40.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 30.41 16.94 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.342 0.657 . . . . 0.0 111.955 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.99 156.45 43.78 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.617 0.246 . . . . 0.0 110.378 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.71 131.27 28.4 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.095 -169.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -79.04 -37.88 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.587 2.191 . . . . 0.0 113.288 -170.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.48 97.56 9.53 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.756 0.312 . . . . 0.0 110.6 -169.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.36 142.98 31.09 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 120.833 0.349 . . . . 0.0 110.948 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.95 121.24 84.63 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.23 4.74 4.61 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.851 2.368 . . . . 0.0 113.188 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.93 146.45 54.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.022 0.439 . . . . 0.0 111.009 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.54 118.44 9.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.08 65.73 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.602 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -109.75 155.83 21.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.854 0.359 . . . . 0.0 110.701 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -148.03 13.53 1.0 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -66.07 144.77 56.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.732 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -131.84 151.82 51.42 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -133.97 160.21 38.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.13 -169.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.8 p -83.42 -29.18 28.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.516 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.662 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.72 155.02 81.03 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 120.607 0.241 . . . . 0.0 110.8 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.6 Cg_endo -66.33 -36.85 26.01 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.447 2.098 . . . . 0.0 112.145 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 55.6 m -65.92 -31.34 72.21 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.042 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -72.54 -39.19 67.71 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.889 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp -66.13 -44.82 83.14 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -55.62 -42.32 74.74 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.11 90.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.727 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.26 -36.97 79.02 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.621 0.248 . . . . 0.0 111.185 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -58.72 -31.53 68.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 120.727 0.298 . . . . 0.0 110.842 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -59.78 -25.77 65.18 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.287 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.476 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.7 t -61.73 -40.89 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-O 120.659 0.266 . . . . 0.0 110.596 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.94 -30.14 55.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.24 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -73.05 -29.07 62.7 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.957 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.3 173.61 47.35 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.7 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.14 94.76 44.88 Favored Pre-proline 0 C--O 1.235 0.306 0 C-N-CA 122.684 0.394 . . . . 0.0 110.173 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.63 140.56 14.96 Favored 'Trans proline' 0 N--CA 1.445 -1.354 0 C-N-CA 122.295 1.996 . . . . 0.0 112.183 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.88 143.22 52.86 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -142.34 12.13 1.95 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.542 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -67.06 -23.37 65.86 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -148.63 144.05 26.94 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.85 -28.05 69.29 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.42 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.1 m -96.96 17.19 17.46 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.204 0.202 . . . . 0.0 111.326 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.01 159.03 15.35 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.0 p -149.93 3.8 0.54 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -64.69 139.68 58.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.683 0.278 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.29 120.32 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.181 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.84 134.7 12.86 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.122 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.05 -14.81 63.26 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 122.813 -0.228 . . . . 0.0 111.357 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 161.3 42.92 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.838 0.352 . . . . 0.0 110.486 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.3 t-105 -58.13 -40.03 80.26 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.292 -176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -56.96 -47.05 81.65 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.016 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.28 -33.84 75.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.323 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -70.11 -48.19 58.62 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.594 0.235 . . . . 0.0 110.553 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 65.8 mt -60.06 -42.04 93.65 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -66.58 -39.41 88.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -61.93 -41.37 97.87 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.62 0.248 . . . . 0.0 110.804 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.6 -45.09 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.87 73.13 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.172 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -89.22 -39.05 13.79 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.745 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.83 -18.88 16.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -169.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -133.8 38.99 3.19 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.967 0.413 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -32.78 68.84 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 120.969 0.414 . . . . 0.0 110.848 179.667 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 C4'-C3'-C2' 99.045 -3.655 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.051 0 C4'-C3'-C2' 99.643 -3.057 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 1 C4'-C3'-C2' 98.682 -4.018 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.59 -3.11 . 0.952 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.476 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.539 2.265 0 O5'-C5'-C4' 115.471 3.765 . 0.351 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.504 1 C3'-C2'-C1' 105.252 4.169 . 0.659 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 P-O3'-C3' 123.985 3.571 . 0.576 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 1 C3'-C2'-C1' 97.074 -4.917 . 0.677 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 C4'-C3'-C2' 99.369 -3.331 . 0.696 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 C4'-C3'-C2' 99.792 -2.908 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-O4' 114.796 3.997 . 0.266 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 0 C5'-C4'-C3' 110.747 -3.169 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 C3'-C2'-C1' 99.406 -2.327 . 0.185 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.556 0 O5'-C5'-C4' 114.705 3.218 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.888 0 C5'-C4'-O4' 113.928 3.377 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 98.933 -3.767 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.09 1 C4'-C3'-C2' 98.693 -4.007 . 0.751 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.269 0 C4'-C3'-C2' 99.355 -3.345 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.244 1 C4'-C3'-C2' 98.206 -4.494 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.862 1 C4'-C3'-C2' 98.55 -4.15 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 99.061 -3.639 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 100.096 -2.604 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C5'-C4'-C3' 109.5 -4.0 . 0.548 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-O4' 114.22 3.586 . 0.248 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C3'-C2'-C1' 96.928 -5.08 . 0.362 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.066 1 C3'-C2'-C1' 97.382 -4.575 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 P-O3'-C3' 124.093 3.66 . 0.708 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.79 0 C4'-C3'-C2' 99.916 -2.784 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 C4'-C3'-C2' 99.206 -3.494 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C4'-C3'-C2' 99.063 -3.637 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.33 0 C5'-C4'-O4' 112.752 2.537 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C4'-C3'-C2' 99.243 -3.457 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.145 0 C3'-C2'-C1' 102.881 1.534 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 O5'-C5'-C4' 112.768 1.834 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O5'-C5'-C4' 113.961 2.687 . 0.726 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 P-O3'-C3' 123.011 2.759 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.076 1 C4'-C3'-C2' 96.948 -5.752 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.53 1 C5'-C4'-O4' 115.401 4.429 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 1 C4'-C3'-C2' 98.282 -4.418 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 C4'-C3'-C2' 98.986 -3.714 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 0 C4'-C3'-C2' 100.271 -2.429 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.889 0 C5'-C4'-C3' 112.308 -2.128 . 0.957 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.643 0 P-O3'-C3' 123.013 2.761 . 0.174 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.013 0 C4'-C3'-C2' 99.483 -3.217 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 C4'-C3'-C2' 98.733 -3.967 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 C4'-C3'-C2' 98.44 -4.26 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C4'-C3'-C2' 98.781 -3.919 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.829 -3.871 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.88 1 C4'-C3'-C2' 98.497 -4.203 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.895 0 C4'-C3'-C2' 99.261 -3.439 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.076 0 O4'-C4'-C3' 110.043 3.245 . 0.536 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C5'-C4'-C3' 110.933 -3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 1 C4'-C3'-C2' 98.69 -4.01 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.958 0 C4'-C3'-C2' 98.877 -3.823 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.981 -2.719 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.934 0.397 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.18 123.77 49.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.252 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.16 139.11 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.904 -169.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.417 ' HA ' HD11 ' A' ' 122' ' ' LEU . 43.8 t -79.07 130.56 35.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.458 170.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -112.37 24.61 12.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.944 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.22 154.91 22.2 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.111 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.37 114.77 2.13 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.884 0.373 . . . . 0.0 111.131 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.88 14.95 7.94 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.674 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 52.0 t -84.18 -78.46 0.24 Allowed 'General case' 0 CA--C 1.562 1.427 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.24 13.32 76.69 Favored Glycine 0 CA--C 1.554 2.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.394 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -69.44 143.79 53.48 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.546 0.673 . . . . 0.0 110.644 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.54 138.5 54.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -126.24 156.62 40.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HE2' ' HZ1' ' A' ' 118' ' ' LYS . 73.5 tttt -65.53 -41.16 93.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.126 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HZ1' ' HE2' ' A' ' 117' ' ' LYS . 12.7 mmtp -133.18 146.14 51.25 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.757 0.313 . . . . 0.0 110.707 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -63.22 -28.62 70.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -63.94 -32.7 74.33 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 122.267 -0.271 . . . . 0.0 110.838 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -73.01 -37.39 66.97 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.651 0.263 . . . . 0.0 110.641 172.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.7 tp -60.82 -47.11 87.85 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.652 0.263 . . . . 0.0 110.519 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -59.1 -41.53 88.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.723 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.648 HG21 HD23 ' A' ' 148' ' ' LEU . 9.5 t -60.19 -41.23 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 74.9 t60 -67.3 -44.57 78.89 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.62 0.247 . . . . 0.0 111.133 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.99 -31.72 73.0 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.283 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -28.87 52.41 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.814 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t -68.36 -47.19 68.08 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.412 -0.18 . . . . 0.0 111.22 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.68 -36.34 83.54 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.3 p -81.93 -18.09 44.83 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.94 17.1 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 123.318 0.647 . . . . 0.0 111.849 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.91 155.87 46.02 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.251 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 37.0 mt -95.06 132.52 27.92 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.105 -169.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.7 Cg_endo -78.72 -36.87 0.73 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.509 2.139 . . . . 0.0 113.243 -171.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.2 m-85 -99.57 91.75 5.04 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.476 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -98.39 143.03 29.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.87 120.21 80.1 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.495 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -92.14 5.8 3.47 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 C-N-CA 122.873 2.382 . . . . 0.0 113.317 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.91 150.62 40.75 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.054 0.454 . . . . 0.0 110.941 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.82 133.83 52.8 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.12 3.35 90.68 Favored Glycine 0 CA--C 1.55 2.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.803 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -120.26 152.86 37.16 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -149.85 16.85 0.88 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.423 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -64.45 149.59 48.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 -135.23 151.35 50.52 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 120.881 0.372 . . . . 0.0 110.476 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -134.08 159.51 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.083 -169.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.6 p -88.05 -15.6 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 -174.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.648 HD23 HG21 ' A' ' 124' ' ' VAL . 17.2 mt -142.34 154.18 63.63 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.71 0.29 . . . . 0.0 111.031 178.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.5 Cg_endo -65.9 -31.65 46.99 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.57 2.18 . . . . 0.0 112.42 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 p -63.85 -38.26 90.45 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.43 -39.05 71.29 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.2 -46.35 87.42 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.772 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.0 -37.51 82.78 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -69.45 -34.0 73.75 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.483 0.182 . . . . 0.0 110.853 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.8 -37.96 79.61 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.53 0.205 . . . . 0.0 111.135 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -58.59 -31.14 67.75 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.656 0.265 . . . . 0.0 110.895 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.46 -25.71 64.63 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.084 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.449 HG22 " H2'" ' B' ' 5' ' ' ' C' . 48.3 t -61.74 -42.75 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-O 120.641 0.258 . . . . 0.0 110.512 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -74.9 -29.39 60.97 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.321 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.98 63.5 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.823 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.68 170.41 41.9 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 116.398 -0.365 . . . . 0.0 112.475 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -124.19 94.8 44.73 Favored Pre-proline 0 CA--C 1.538 0.497 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.15 145.42 17.25 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.477 2.118 . . . . 0.0 112.597 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 138.28 46.71 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.019 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.25 12.75 3.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.537 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -67.94 -23.03 65.02 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.088 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.82 145.46 24.97 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.86 -27.22 68.06 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.451 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 88.0 p -93.63 16.37 13.99 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.07 136.61 52.51 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.9 m -134.22 16.08 3.79 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.437 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.8 139.78 58.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.616 0.246 . . . . 0.0 110.799 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.42 123.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.419 170.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.39 139.63 16.17 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 121.234 -0.507 . . . . 0.0 112.057 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -69.45 -17.72 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 122.878 -0.189 . . . . 0.0 111.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.96 161.51 41.75 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 120.908 0.385 . . . . 0.0 110.444 175.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.422 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -57.66 -40.2 78.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.429 -174.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.6 p -57.29 -45.45 84.1 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.094 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.278 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -69.08 -48.24 63.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.617 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 177' ' ' TRP . 52.5 mt -60.97 -41.06 95.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.887 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.4 -41.56 96.59 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.83 -42.45 99.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.8 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 14.5 t -61.87 -45.08 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.017 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.88 74.33 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -89.22 -32.59 17.36 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.882 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.1 m -107.32 -19.72 13.5 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.01 6.23 5.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -139.93 10.72 2.41 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.575 0.226 . . . . 0.0 111.061 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.987 0.423 . . . . 0.0 110.827 178.189 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.064 0 C4'-C3'-C2' 99.603 -3.097 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C4'-C3'-C2' 99.548 -3.152 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C4'-C3'-C2' 99.083 -3.617 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 100.056 -2.644 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.449 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.543 2.525 0 O3'-P-O5' 109.399 2.842 . 0.306 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.91 1 O4'-C4'-C3' 111.478 4.27 . 0.605 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 1 P-O3'-C3' 124.533 4.027 . 0.58 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C3'-C2'-C1' 97.933 -3.964 . 0.663 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 0 C4'-C3'-C2' 99.067 -3.633 . 0.708 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 0 C4'-C3'-C2' 99.95 -2.75 . 0.93 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 1 C5'-C4'-O4' 115.315 4.368 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.632 0 C5'-C4'-C3' 109.916 -3.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.452 0 C3'-C2'-C1' 99.663 -2.041 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 0 O5'-C5'-C4' 114.541 3.101 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.82 0 C5'-C4'-O4' 114.205 3.575 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 98.832 -3.868 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.987 1 C4'-C3'-C2' 98.13 -4.57 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.42 0 C4'-C3'-C2' 99.149 -3.551 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.208 0 C4'-C3'-C2' 98.919 -3.781 . 0.934 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 1 C4'-C3'-C2' 98.188 -4.512 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 1 C4'-C3'-C2' 98.393 -4.307 . 0.441 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 O5'-C5'-C4' 113.467 2.334 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 1 C5'-C4'-C3' 108.101 -4.933 . 0.822 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C5'-C4'-O4' 112.822 2.587 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.877 2 C3'-C2'-C1' 95.148 -7.058 . 0.644 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.815 0 O4'-C1'-C2' 100.866 -3.953 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 P-O3'-C3' 124.639 4.116 . 0.732 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.721 0 C4'-C3'-C2' 100.076 -2.624 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.247 0 C4'-C3'-C2' 99.247 -3.453 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 98.954 -3.746 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-O4' 112.869 2.621 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C4'-C3'-C2' 99.289 -3.411 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.113 0 C3'-C2'-C1' 102.89 1.545 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 0 O5'-C5'-C4' 112.772 1.837 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O5'-C5'-C4' 113.887 2.633 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 P-O3'-C3' 123.014 2.762 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 1 C4'-C3'-C2' 96.964 -5.736 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.552 1 C5'-C4'-O4' 115.332 4.38 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 C4'-C3'-C2' 98.276 -4.424 . 0.509 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.989 0 O5'-C5'-C4' 114.757 3.255 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.441 -3.259 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C4'-C3'-C2' 100.69 -2.01 . 0.923 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.026 0 O5'-C5'-C4' 114.657 3.183 . 0.188 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.954 0 C4'-C3'-C2' 99.524 -3.176 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.078 -3.622 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 C4'-C3'-C2' 98.743 -3.957 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 C4'-C3'-C2' 98.575 -4.125 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 98.82 -3.88 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.764 1 C4'-C3'-C2' 98.576 -4.124 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.033 0 C4'-C3'-C2' 99.491 -3.209 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 O4'-C4'-C3' 109.741 3.029 . 0.588 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.642 0 C5'-C4'-C3' 111.133 -2.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 98.967 -3.733 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.03 0 C4'-C3'-C2' 99.104 -3.596 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C4'-C3'-C2' 99.858 -2.842 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.07 122.8 48.04 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -109.0 139.07 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.755 -169.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.1 t -78.69 129.38 34.64 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.495 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -111.3 24.77 12.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.88 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.27 154.43 23.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.67 114.74 1.99 Allowed 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 t30 69.78 15.09 8.04 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.712 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.41 -78.82 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.764 0.316 . . . . 0.0 110.945 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.48 13.52 77.49 Favored Glycine 0 CA--C 1.554 2.488 0 CA-C-N 116.316 -0.402 . . . . 0.0 113.43 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -70.58 143.87 51.41 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.448 0.624 . . . . 0.0 110.638 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.0 54.58 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -126.26 156.51 40.22 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.259 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -63.83 -41.23 97.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.305 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -134.68 148.52 50.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.735 -171.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -64.56 -28.9 69.95 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.642 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -65.24 -33.85 76.97 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 122.342 -0.224 . . . . 0.0 110.835 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.05 -35.55 66.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.0 tp -61.68 -47.1 86.88 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 120.682 0.277 . . . . 0.0 110.484 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -56.9 -41.93 79.01 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.738 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.614 HG21 HD23 ' A' ' 148' ' ' LEU . 11.6 t -59.14 -41.22 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 120.738 0.304 . . . . 0.0 111.054 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.2 t60 -68.3 -45.05 74.06 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.574 0.225 . . . . 0.0 111.246 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.86 -31.74 73.11 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.332 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.89 53.48 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.811 175.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -67.92 -47.14 69.57 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 122.441 -0.162 . . . . 0.0 111.242 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -63.98 -36.33 83.63 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.6 p -81.85 -18.31 44.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.043 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.79 32.32 17.32 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.338 0.655 . . . . 0.0 111.891 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.3 155.82 45.68 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 169.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.3 mt -95.71 132.42 27.36 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 120.686 0.279 . . . . 0.0 111.079 -169.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -78.97 -37.06 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 113.222 -171.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 85.4 m-85 -98.94 92.71 5.65 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.514 -170.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -98.8 142.99 29.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.9 t -73.81 121.06 84.25 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.379 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.96 4.86 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.889 2.393 . . . . 0.0 113.167 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.1 151.3 47.18 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.162 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.26 128.65 36.7 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.0 90.33 Favored Glycine 0 CA--C 1.548 2.103 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.713 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -115.12 153.05 31.48 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 120.82 0.343 . . . . 0.0 110.713 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.28 19.36 0.75 Allowed 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.52 143.24 57.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.726 0.298 . . . . 0.0 110.269 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -134.17 150.76 51.11 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.07 157.57 45.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.087 -169.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -84.58 -18.11 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.539 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.614 HD23 HG21 ' A' ' 124' ' ' VAL . 20.4 mt -140.98 154.41 68.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.0 Cg_endo -66.73 -29.73 42.43 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.608 2.205 . . . . 0.0 112.287 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.3 p -66.89 -37.74 84.96 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -70.6 -38.2 73.96 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.883 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.23 -43.77 93.93 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.681 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -39.98 78.37 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.879 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -42.03 90.38 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.809 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.41 -37.06 82.1 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.522 0.201 . . . . 0.0 111.346 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 -31.25 68.08 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.608 0.242 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.61 -25.82 64.96 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.145 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.481 HG22 " H2'" ' B' ' 5' ' ' ' C' . 22.0 t -61.8 -43.32 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.587 0.232 . . . . 0.0 110.652 175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -77.01 -30.55 55.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.288 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.04 64.94 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 120.654 0.264 . . . . 0.0 110.812 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.11 173.33 48.63 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.55 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.18 94.85 44.68 Favored Pre-proline 0 C--O 1.236 0.391 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.48 141.59 15.9 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.338 2.025 . . . . 0.0 112.34 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.89 140.67 53.18 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -142.48 12.38 1.93 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.417 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.71 -23.31 65.27 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -148.19 144.28 27.62 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.834 0.349 . . . . 0.0 110.684 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.28 -27.87 68.94 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.479 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -96.25 17.29 16.13 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.291 -177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 159.11 15.1 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.7 p -151.67 4.81 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -64.86 141.14 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.699 0.285 . . . . 0.0 111.062 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.7 t -128.25 122.66 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.266 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.91 133.24 11.65 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.027 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -66.99 -15.57 63.81 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 122.779 -0.248 . . . . 0.0 111.182 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.4 160.9 43.04 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.405 175.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.445 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.9 t-105 -58.0 -39.26 77.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.8 p -57.09 -47.39 81.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.159 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.0 -34.9 77.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.373 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -69.29 -48.12 62.55 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.542 0.211 . . . . 0.0 110.594 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.478 HD22 " H4'" ' B' ' 9' ' ' ' C' . 47.1 mt -59.93 -41.63 92.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.45 -42.4 95.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -61.95 -42.11 98.74 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.703 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.0 t -61.72 -44.9 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.078 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 120.675 0.274 . . . . 0.0 111.154 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.28 -28.27 20.0 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.99 -19.94 12.16 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -169.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -134.43 11.53 3.79 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -143.9 175.1 10.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.732 0.301 . . . . 0.0 110.63 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.484 1.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 -179.409 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.915 0 C4'-C3'-C2' 99.145 -3.555 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.494 -3.206 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.857 -3.843 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.691 -3.009 . 0.956 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.481 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 2.338 1 O5'-C5'-C4' 115.901 4.072 . 0.334 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.511 1 O5'-C5'-C4' 116.212 4.294 . 0.7 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 P-O3'-C3' 123.121 2.851 . 0.585 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 1 C3'-C2'-C1' 97.424 -4.529 . 0.684 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.478 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.43 -1.922 0 C4'-C3'-C2' 99.349 -3.351 . 0.685 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.959 0 C4'-C3'-C2' 99.873 -2.827 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 1 C5'-C4'-O4' 115.168 4.263 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 0 C5'-C4'-C3' 109.93 -3.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.48 0 C3'-C2'-C1' 99.938 -1.736 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 0 C5'-C4'-C3' 110.373 -3.418 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.916 0 C5'-C4'-C3' 109.96 -3.693 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C4'-C3'-C2' 98.947 -3.753 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 C4'-C3'-C2' 98.621 -4.079 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.393 0 C4'-C3'-C2' 100.011 -2.689 . 0.924 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 1 C5'-C4'-O4' 115.015 4.154 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.744 0 C4'-C3'-C2' 98.854 -3.846 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.943 0 C4'-C3'-C2' 99.013 -3.687 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 0 C4'-C3'-C2' 100.373 -2.327 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 C5'-C4'-C3' 109.499 -4.001 . 0.711 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C5'-C4'-O4' 114.265 3.618 . 0.336 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 2 C3'-C2'-C1' 95.543 -6.618 . 0.399 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.887 0 C4'-C3'-C2' 99.115 -3.585 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 P-O3'-C3' 124.389 3.907 . 0.729 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.744 0 P-O3'-C3' 122.826 2.605 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.231 0 C4'-C3'-C2' 99.335 -3.365 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 99.059 -3.641 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 0 C5'-C4'-O4' 112.795 2.568 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 C4'-C3'-C2' 99.277 -3.423 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.065 0 C3'-C2'-C1' 102.878 1.531 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.575 0 O5'-C5'-C4' 112.719 1.799 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O5'-C5'-C4' 113.979 2.699 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 P-O3'-C3' 123.076 2.813 . 0.359 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.988 1 C4'-C3'-C2' 96.896 -5.804 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.4 1 C5'-C4'-O4' 115.323 4.373 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 1 C4'-C3'-C2' 98.304 -4.396 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 C4'-C3'-C2' 99.103 -3.597 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 0 C4'-C3'-C2' 99.561 -3.139 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C4'-C3'-C2' 100.982 -1.718 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.874 0 P-O3'-C3' 123.281 2.984 . 0.187 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 C4'-C3'-C2' 99.575 -3.125 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 98.921 -3.779 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C4'-C3'-C2' 98.77 -3.93 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 C4'-C3'-C2' 98.842 -3.858 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.894 -3.806 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.822 1 C4'-C3'-C2' 98.61 -4.09 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 C4'-C3'-C2' 99.586 -3.114 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C5'-C4'-C3' 112.055 -2.297 . 0.806 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C5'-C4'-C3' 111.202 -2.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 1 C4'-C3'-C2' 98.69 -4.01 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.973 0 C4'-C3'-C2' 98.952 -3.748 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 99.989 -2.711 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -109.13 122.17 46.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.84 139.08 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.833 -169.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 122' ' ' LEU . 44.2 t -78.86 129.74 34.9 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.452 171.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -111.58 24.24 12.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.26 154.44 23.62 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.133 170.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.88 114.75 2.03 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 -172.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 69.85 15.13 7.96 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.676 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.3 -78.56 0.23 Allowed 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.667 0.27 . . . . 0.0 110.999 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.38 13.84 77.16 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.389 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 35.2 tttp -69.48 144.05 53.34 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.538 0.669 . . . . 0.0 110.669 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 138.37 54.37 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 -174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -126.28 158.49 35.62 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.198 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 1.3 ptmt -76.82 -30.53 56.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.914 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' A' ' 117' ' ' LYS . 27.0 mmtm -129.24 148.09 51.14 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -65.26 -28.73 69.55 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.507 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -64.18 -32.11 73.57 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 122.286 -0.259 . . . . 0.0 110.963 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.23 -37.1 69.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.67 0.271 . . . . 0.0 110.676 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 107' ' ' CYS . 28.3 tp -62.02 -47.2 85.82 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.64 -40.16 86.74 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.622 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.685 HG21 HD23 ' A' ' 148' ' ' LEU . 12.7 t -61.29 -41.19 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.2 t60 -67.62 -44.35 78.21 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.075 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.78 -31.69 73.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.306 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.77 54.28 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 116.845 -0.161 . . . . 0.0 110.857 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.74 -46.84 67.83 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 122.389 -0.194 . . . . 0.0 111.182 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.81 -36.26 83.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.729 0.299 . . . . 0.0 110.999 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 80.0 p -82.29 -18.75 41.22 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.01 33.0 19.3 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.244 0.618 . . . . 0.0 111.899 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -131.08 155.8 46.3 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 36.6 mt -94.5 132.28 29.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.096 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.5 Cg_endo -78.42 -36.46 0.93 Allowed 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.565 2.177 . . . . 0.0 113.233 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.5 m-85 -100.23 92.75 5.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.936 0.398 . . . . 0.0 110.43 -169.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -95.15 143.01 26.92 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.548 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.83 121.04 84.22 Favored Pre-proline 0 CA--C 1.564 1.481 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.348 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -89.88 4.5 4.85 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 122.906 2.404 . . . . 0.0 113.251 -171.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.43 144.1 57.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.41 111.29 3.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.58 -3.94 42.97 Favored Glycine 0 CA--C 1.544 1.878 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.602 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.46 155.51 19.5 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.851 0.358 . . . . 0.0 110.627 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -146.06 13.24 1.28 Allowed 'General case' 0 CA--C 1.557 1.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.2 145.59 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -134.29 152.26 51.72 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.335 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.02 156.12 48.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.225 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.8 p -87.34 -15.68 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.576 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.685 HD23 HG21 ' A' ' 124' ' ' VAL . 15.3 mt -141.87 154.59 65.66 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.875 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.1 Cg_endo -66.29 -32.84 40.84 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.531 2.154 . . . . 0.0 112.384 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.1 p -62.57 -37.63 86.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.732 0.301 . . . . 0.0 111.043 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.35 -39.26 71.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.887 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.04 -45.88 86.89 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.757 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.69 -36.51 74.33 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.111 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -73.11 -35.42 66.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.855 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -66.03 -35.2 79.91 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.585 0.231 . . . . 0.0 111.172 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.61 -31.19 67.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.55 0.214 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -59.61 -25.7 64.85 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.177 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.433 HG22 " H2'" ' B' ' 5' ' ' ' C' . 46.5 t -61.77 -43.22 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 120.663 0.268 . . . . 0.0 110.522 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.18 -28.25 57.24 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.227 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.28 63.13 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-O 120.636 0.255 . . . . 0.0 110.853 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.07 171.46 44.47 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.398 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -124.16 94.8 44.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.47 145.55 14.89 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.481 2.12 . . . . 0.0 112.596 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.6 t -74.67 141.02 44.6 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.17 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -142.23 13.51 2.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.319 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.18 -23.13 65.73 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.031 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -150.61 145.89 26.18 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.33 -27.92 68.94 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.446 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.1 p -93.58 16.35 13.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.386 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -113.83 136.74 52.53 Favored 'General case' 0 CA--C 1.55 0.942 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.248 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -136.08 17.02 3.23 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.425 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.41 140.35 58.56 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.655 0.264 . . . . 0.0 110.864 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 123.34 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 170.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.7 137.93 15.25 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.201 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -22.48 66.36 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 122.888 -0.184 . . . . 0.0 111.057 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.78 162.14 39.82 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.5 t-105 -57.72 -40.09 78.79 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.379 -174.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 p -56.97 -48.02 79.38 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.469 0.176 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.9 -35.63 78.92 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.183 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -68.24 -48.12 65.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.626 0.251 . . . . 0.0 110.655 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.6 mt -60.73 -39.58 89.17 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.03 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -63.95 -43.59 95.38 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.835 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -61.95 -42.88 99.61 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.704 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.75 -45.07 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.997 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.64 74.07 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.988 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -89.25 -27.12 20.81 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.95 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 96.1 m -114.9 -19.78 10.83 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -136.83 11.93 3.14 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -149.45 14.37 0.86 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.685 0.278 . . . . 0.0 111.261 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 121.032 0.444 . . . . 0.0 111.023 178.711 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.222 -3.478 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.661 -3.039 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 C4'-C3'-C2' 98.607 -4.093 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.865 -2.835 . 0.935 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.433 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.542 2.469 1 O5'-C5'-C4' 116.055 4.182 . 0.344 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.748 1 O4'-C4'-C3' 111.135 4.025 . 0.606 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 P-O3'-C3' 124.436 3.947 . 0.58 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 C3'-C2'-C1' 97.539 -4.401 . 0.666 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.004 -3.696 . 0.713 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 0 C4'-C3'-C2' 99.705 -2.995 . 0.922 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 1 C5'-C4'-O4' 114.943 4.102 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.923 0 C5'-C4'-C3' 110.741 -3.173 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.497 0 C3'-C2'-C1' 99.305 -2.439 . 0.175 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 O5'-C5'-C4' 114.73 3.235 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.872 0 C5'-C4'-O4' 114.264 3.617 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 98.723 -3.977 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C4'-C3'-C2' 98.271 -4.429 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.292 0 C4'-C3'-C2' 99.155 -3.545 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.184 0 C4'-C3'-C2' 99.321 -3.379 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 C4'-C3'-C2' 98.377 -4.323 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 1 C4'-C3'-C2' 98.248 -4.452 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C5'-C4'-O4' 112.657 2.469 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 1 C5'-C4'-C3' 108.266 -4.823 . 0.792 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C5'-C4'-O4' 112.866 2.619 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.854 1 C3'-C2'-C1' 97.7 -4.222 . 0.634 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.494 3 C5'-C4'-O4' 116.015 4.868 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 P-O3'-C3' 124.04 3.617 . 0.728 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.761 0 C4'-C3'-C2' 99.773 -2.927 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.186 0 C4'-C3'-C2' 99.16 -3.54 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 C4'-C3'-C2' 98.972 -3.728 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.215 0 C5'-C4'-O4' 112.779 2.556 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.26 -3.44 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.478 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.139 0 C3'-C2'-C1' 102.916 1.573 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.617 0 O5'-C5'-C4' 112.72 1.8 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.478 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 O5'-C5'-C4' 114.012 2.723 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 P-O3'-C3' 123.005 2.754 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 1 C4'-C3'-C2' 96.958 -5.742 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.436 1 C5'-C4'-O4' 115.402 4.43 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 C4'-C3'-C2' 98.232 -4.468 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.828 0 C4'-C3'-C2' 99.043 -3.657 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.183 0 C4'-C3'-C2' 99.549 -3.151 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.962 0 C4'-C3'-C2' 100.748 -1.952 . 0.943 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.148 0 O5'-C5'-C4' 114.423 3.017 . 0.162 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.957 0 C4'-C3'-C2' 99.598 -3.102 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 98.951 -3.749 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C4'-C3'-C2' 98.792 -3.908 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 1 C4'-C3'-C2' 98.62 -4.08 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.941 0 C4'-C3'-C2' 98.938 -3.762 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.82 1 C4'-C3'-C2' 98.682 -4.018 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 C4'-C3'-C2' 99.45 -3.25 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 0 O4'-C4'-C3' 109.662 2.973 . 0.62 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.719 0 C5'-C4'-C3' 111.086 -2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.089 -3.611 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.996 0 C4'-C3'-C2' 99.087 -3.613 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 C4'-C3'-C2' 99.887 -2.813 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 120.877 0.37 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -109.11 119.57 39.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.1 t -111.31 139.19 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.833 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.23 128.4 33.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.439 171.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -110.53 24.29 13.16 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.994 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.43 153.77 26.15 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.5 114.78 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.784 0.326 . . . . 0.0 111.247 -172.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.78 15.14 8.02 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.748 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -84.95 -78.39 0.25 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 120.755 0.312 . . . . 0.0 111.027 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.83 15.2 73.63 Favored Glycine 0 CA--C 1.551 2.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.432 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.6 142.71 53.48 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 117.462 0.631 . . . . 0.0 110.472 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.92 54.83 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 -173.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -126.26 157.04 39.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.992 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' ' HG3' ' A' ' 118' ' ' LYS . 1.2 ptmt -72.31 -32.07 66.25 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.635 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 55.4 mttp -137.78 154.02 49.62 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.074 0.464 . . . . 0.0 111.773 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -67.55 -28.69 68.01 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.703 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.97 -36.08 82.78 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 122.318 -0.239 . . . . 0.0 110.716 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.8 -37.74 70.36 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.686 0.279 . . . . 0.0 110.549 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.66 -47.27 86.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.75 0.31 . . . . 0.0 110.704 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -62.52 -38.47 90.1 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.87 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 148' ' ' LEU . 3.2 t -59.91 -41.21 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 73.5 t60 -68.46 -44.93 73.78 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.159 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.12 -31.69 72.98 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.395 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.93 53.46 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.757 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.3 t -67.69 -46.93 70.87 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 122.431 -0.168 . . . . 0.0 111.265 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.26 -36.26 83.51 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.835 0.35 . . . . 0.0 111.058 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -81.83 -17.84 46.06 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.01 32.73 16.05 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.283 0.633 . . . . 0.0 111.838 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -131.19 155.47 46.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.223 169.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.6 mt -94.87 133.72 26.05 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.072 -169.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -79.93 -38.15 0.38 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.561 2.174 . . . . 0.0 113.256 -171.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.564 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.0 m-85 -95.24 92.24 6.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.509 -170.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.44 141.78 28.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 33.8 t -73.92 120.48 81.47 Favored Pre-proline 0 CA--C 1.565 1.543 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.454 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.17 5.72 4.81 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.836 2.357 . . . . 0.0 113.349 -171.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.27 142.38 58.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.41 103.4 1.63 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 113.31 -1.33 25.21 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -110.34 158.23 18.66 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.827 0.346 . . . . 0.0 110.614 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.05 11.71 0.94 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.668 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -66.52 148.76 51.43 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 120.817 0.341 . . . . 0.0 110.687 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -135.28 154.0 51.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -134.12 160.18 38.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.951 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 148' ' ' LEU . 9.0 p -83.27 -26.95 30.22 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.511 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -136.52 155.62 76.85 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 122.381 0.272 . . . . 0.0 110.423 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.564 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.1 Cg_endo -64.64 -25.01 62.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.637 2.225 . . . . 0.0 112.563 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.1 p -65.02 -43.71 91.58 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -70.1 -36.12 74.64 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.99 -43.98 94.05 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.509 0.195 . . . . 0.0 110.775 173.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -64.58 -35.45 81.01 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.803 -0.181 . . . . 0.0 111.111 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.83 -40.37 91.73 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.562 0.22 . . . . 0.0 110.594 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.84 -39.08 90.45 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.077 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.81 -31.41 68.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.549 0.214 . . . . 0.0 110.982 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.72 -25.91 65.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.03 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.524 HG22 " H2'" ' B' ' 5' ' ' ' C' . 30.9 t -61.76 -43.5 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 120.721 0.296 . . . . 0.0 110.53 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -77.12 -28.58 54.39 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.22 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.66 63.26 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.665 0.269 . . . . 0.0 110.841 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.23 168.87 44.66 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.385 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -124.06 94.79 44.98 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.59 145.83 16.63 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.546 2.164 . . . . 0.0 112.522 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -74.06 138.64 44.13 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.017 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -137.35 12.71 3.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.418 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -68.35 -21.88 64.71 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.106 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.68 141.67 23.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.835 0.35 . . . . 0.0 110.679 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.33 -22.59 66.28 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.618 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 72.4 m -100.34 19.42 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.207 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.33 163.08 13.23 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 171.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.53 5.75 0.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.68 138.01 57.11 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.757 0.313 . . . . 0.0 111.104 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.38 122.04 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.236 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.58 139.01 16.91 Favored Glycine 0 N--CA 1.473 1.155 0 C-N-CA 121.367 -0.444 . . . . 0.0 112.103 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -69.62 -18.33 63.59 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 120.578 0.227 . . . . 0.0 111.068 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.83 160.2 43.01 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.418 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.7 t-105 -57.97 -38.9 76.89 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.365 -174.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.2 p -57.62 -46.37 84.2 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.14 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.17 -35.3 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.28 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -69.43 -48.28 61.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 110.589 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 177' ' ' TRP . 55.4 mt -60.2 -40.76 91.19 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.764 0.316 . . . . 0.0 110.814 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -64.74 -41.68 95.75 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.91 -42.61 99.29 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.824 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.64 -45.03 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.02 73.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.704 0.288 . . . . 0.0 111.153 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.24 -43.99 10.59 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.652 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 93.3 m -92.54 -20.52 20.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -169.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -130.19 0.66 4.66 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 47.51 45.74 17.47 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 121.017 0.437 . . . . 0.0 111.031 -177.268 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.214 0 C4'-C3'-C2' 99.253 -3.447 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C4'-C3'-C2' 99.379 -3.321 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 C4'-C3'-C2' 99.244 -3.456 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C3'-C2'-C1' 103.795 2.55 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.524 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.501 -2.655 0 O3'-P-O5' 109.826 3.066 . 0.269 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 O5'-C5'-C4' 115.792 3.994 . 0.557 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 P-O3'-C3' 124.338 3.865 . 0.583 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 1 C3'-C2'-C1' 97.445 -4.506 . 0.656 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.203 -3.497 . 0.705 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.898 0 C4'-C3'-C2' 99.628 -3.072 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 1 C5'-C4'-O4' 115.402 4.43 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 C5'-C4'-C3' 110.191 -3.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.443 0 C3'-C2'-C1' 99.672 -2.032 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.408 0 O5'-C5'-C4' 114.575 3.125 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.901 0 C5'-C4'-O4' 114.202 3.573 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 C4'-C3'-C2' 98.837 -3.863 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 C4'-C3'-C2' 98.389 -4.311 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.399 0 C4'-C3'-C2' 99.251 -3.449 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 0 C4'-C3'-C2' 98.838 -3.862 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 C4'-C3'-C2' 98.736 -3.964 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 1 C4'-C3'-C2' 98.496 -4.204 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C5'-C4'-O4' 112.558 2.398 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 1 C5'-C4'-C3' 108.67 -4.553 . 0.774 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C5'-C4'-O4' 112.776 2.554 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.635 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 1.954 1 C3'-C2'-C1' 96.762 -5.264 . 0.625 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.586 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.543 2.551 2 O4'-C1'-C2' 99.867 -4.666 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 P-O3'-C3' 124.114 3.679 . 0.736 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.746 0 C4'-C3'-C2' 99.98 -2.72 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.147 -3.553 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.978 0 C4'-C3'-C2' 99.066 -3.634 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.142 0 C5'-C4'-O4' 112.802 2.573 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.366 -3.334 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.493 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.07 0 C4'-C3'-O3' 114.635 1.552 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.543 0 C3'-C2'-C1' 99.658 -2.047 . 0.067 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.493 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.773 2.552 . 0.731 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 P-O3'-C3' 123.177 2.898 . 0.364 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 1 C4'-C3'-C2' 96.908 -5.792 . 0.242 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.429 1 C5'-C4'-O4' 115.321 4.372 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 1 C4'-C3'-C2' 98.336 -4.364 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.815 0 O5'-C5'-C4' 115.088 3.491 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 C4'-C3'-C2' 99.348 -3.352 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 100.762 -1.938 . 0.921 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.099 0 O5'-C5'-C4' 114.456 3.04 . 0.172 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 0 C4'-C3'-C2' 99.557 -3.143 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 C4'-C3'-C2' 99.007 -3.693 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C4'-C3'-C2' 98.81 -3.89 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 98.775 -3.925 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C4'-C3'-C2' 98.97 -3.73 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.75 1 C4'-C3'-C2' 98.524 -4.176 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 C4'-C3'-C2' 99.34 -3.36 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 0 O4'-C4'-C3' 109.723 3.017 . 0.571 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 C5'-C4'-C3' 110.485 -3.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.029 0 C4'-C3'-C2' 99.104 -3.596 . 0.928 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 98.973 -3.727 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 100.21 -2.49 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 120.823 0.344 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.13 124.16 50.36 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.444 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.0 t -110.49 139.09 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.726 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 122' ' ' LEU . 52.7 t -79.5 128.52 33.47 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.454 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -110.89 24.94 12.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.874 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.3 154.35 24.02 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -55.44 114.63 1.9 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.881 0.372 . . . . 0.0 111.186 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.83 14.95 7.99 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.612 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.25 -79.82 0.22 Allowed 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 120.746 0.307 . . . . 0.0 110.968 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.32 15.65 77.06 Favored Glycine 0 CA--C 1.555 2.541 0 CA-C-N 116.327 -0.397 . . . . 0.0 113.423 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.2 tttp -70.96 143.29 50.91 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 117.356 0.578 . . . . 0.0 110.633 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.12 138.04 54.38 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -126.09 160.03 31.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -64.27 -42.08 96.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.153 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.632 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 35.9 mttp -143.09 155.86 44.69 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.867 -170.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -64.44 -28.86 69.96 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.755 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.58 -32.38 73.69 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 122.437 -0.164 . . . . 0.0 110.86 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -73.1 -37.7 66.63 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.693 0.282 . . . . 0.0 110.744 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 107' ' ' CYS . 23.0 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.744 0.307 . . . . 0.0 110.435 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.61 -39.2 87.32 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.896 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 148' ' ' LEU . 6.1 t -58.96 -41.26 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 176.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.9 -45.08 68.38 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.215 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.15 -31.82 73.2 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.351 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.78 53.28 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.992 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.55 -46.49 69.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.186 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.25 -36.28 83.58 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.971 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.3 p -82.77 -19.3 38.08 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.5 31.13 18.37 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.264 0.626 . . . . 0.0 112.022 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.89 156.52 44.26 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.389 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.37 131.73 29.17 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 120.73 0.3 . . . . 0.0 111.028 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -78.97 -37.5 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.473 2.115 . . . . 0.0 113.211 -170.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.495 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.93 95.04 7.56 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.618 -170.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.88 143.07 28.87 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.857 0.361 . . . . 0.0 110.828 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.66 121.57 85.55 Favored Pre-proline 0 CA--C 1.565 1.526 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.557 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -91.9 4.64 3.8 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 122.882 2.388 . . . . 0.0 113.313 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -69.99 150.38 46.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.127 0.489 . . . . 0.0 110.966 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.65 129.91 42.08 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.977 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.03 4.87 89.74 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.764 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -119.11 154.44 33.23 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.9 18.36 0.68 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.03 145.98 54.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.391 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -134.0 149.19 51.2 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 57.5 m-85 -134.04 161.4 34.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.177 -169.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 p -82.95 -29.55 28.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.622 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 124' ' ' VAL . 4.4 mm? -129.25 155.23 80.29 Favored Pre-proline 0 N--CA 1.479 1.018 0 CA-C-O 120.649 0.261 . . . . 0.0 110.798 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 19.8 Cg_endo -65.93 -34.8 37.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.466 2.111 . . . . 0.0 112.146 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -33.12 74.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.081 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.15 -36.69 66.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.033 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.66 -45.38 83.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.618 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -54.83 -40.87 70.03 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.56 -40.63 84.91 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.893 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 75.4 t60 -61.07 -34.04 74.28 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.523 0.201 . . . . 0.0 111.343 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.45 -30.06 66.64 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 122.291 -0.256 . . . . 0.0 110.76 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -59.43 -25.65 64.52 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.109 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.477 HG22 " H2'" ' B' ' 5' ' ' ' C' . 35.7 t -61.73 -40.83 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 120.61 0.243 . . . . 0.0 110.602 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -77.06 -32.21 56.67 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.19 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.03 63.52 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 120.635 0.255 . . . . 0.0 111.079 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.32 173.21 46.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 116.475 -0.329 . . . . 0.0 112.564 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -124.11 94.74 44.97 Favored Pre-proline 0 C--O 1.236 0.362 0 C-N-CA 122.526 0.33 . . . . 0.0 110.134 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.35 140.95 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.207 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.23 142.28 52.39 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.084 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -143.5 12.11 1.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.586 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -68.1 -22.39 64.91 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -146.98 142.26 27.33 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.811 0.339 . . . . 0.0 110.473 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -65.15 -24.25 67.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.594 -174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.9 m -102.78 19.35 19.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.167 0.187 . . . . 0.0 111.273 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.0 158.96 15.38 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 171.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -149.44 2.65 0.55 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.65 139.92 58.81 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.768 0.318 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 121.36 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.52 134.61 12.83 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.1 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -66.93 -17.55 64.96 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 122.829 -0.218 . . . . 0.0 111.135 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.39 163.29 38.73 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.845 0.355 . . . . 0.0 110.596 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.438 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.8 t-105 -58.34 -41.06 83.78 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.408 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.3 p -57.39 -46.85 83.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.389 0.138 . . . . 0.0 111.028 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.06 -34.56 76.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.311 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.94 -48.07 59.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.54 0.209 . . . . 0.0 110.644 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.438 HD11 ' CE2' ' A' ' 177' ' ' TRP . 53.1 mt -59.78 -41.48 91.23 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.85 0.357 . . . . 0.0 111.052 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.92 -43.33 96.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -62.03 -42.53 99.27 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.776 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.8 t -62.09 -45.03 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.135 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.35 72.51 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.36 -28.47 19.78 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.044 -175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.9 m -113.89 -19.16 11.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -134.63 12.28 3.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -143.2 173.1 11.88 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 120.768 0.318 . . . . 0.0 110.623 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.994 0.426 . . . . 0.0 110.862 -179.788 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 0 C4'-C3'-C2' 99.828 -2.872 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 99.208 -3.492 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 1 C4'-C3'-C2' 98.61 -4.09 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.594 -3.106 . 0.943 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.477 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O5'-C5'-C4' 115.801 4.0 . 0.342 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 O5'-C5'-C4' 115.407 3.719 . 0.663 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 P-O3'-C3' 124.153 3.711 . 0.562 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 1 C3'-C2'-C1' 97.311 -4.654 . 0.67 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.432 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.307 -3.393 . 0.678 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 C4'-C3'-C2' 99.686 -3.014 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 1 C5'-C4'-O4' 115.1 4.214 . 0.259 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 C5'-C4'-C3' 110.162 -3.559 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C3'-C2'-C1' 99.761 -1.932 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.516 0 O5'-C5'-C4' 114.721 3.229 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.875 0 C5'-C4'-O4' 113.987 3.419 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 C4'-C3'-C2' 98.774 -3.926 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 1 C4'-C3'-C2' 98.608 -4.092 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 1 C4'-C3'-C2' 98.64 -4.06 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.166 1 C4'-C3'-C2' 98.075 -4.625 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.856 1 C4'-C3'-C2' 98.699 -4.001 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.955 0 C4'-C3'-C2' 99.27 -3.43 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C4'-C3'-C2' 99.881 -2.819 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C5'-C4'-C3' 109.518 -3.988 . 0.573 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C5'-C4'-O4' 114.641 3.886 . 0.265 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.632 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.539 2.199 1 C3'-C2'-C1' 97.262 -4.709 . 0.354 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.575 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.545 2.727 2 C3'-C2'-C1' 97.316 -4.649 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 P-O3'-C3' 123.87 3.475 . 0.716 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.681 0 C4'-C3'-C2' 100.049 -2.651 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.252 0 C4'-C3'-C2' 99.292 -3.408 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.943 0 C4'-C3'-C2' 99.069 -3.631 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.243 0 C5'-C4'-O4' 112.777 2.555 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.262 -3.438 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.481 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.035 0 C3'-C2'-C1' 102.866 1.518 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.545 0 O5'-C5'-C4' 112.75 1.822 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.481 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 O5'-C5'-C4' 113.925 2.661 . 0.726 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 P-O3'-C3' 123.098 2.832 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 C4'-C3'-C2' 96.892 -5.808 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.414 1 C5'-C4'-O4' 115.427 4.448 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 1 C4'-C3'-C2' 98.197 -4.503 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.852 0 C4'-C3'-C2' 98.961 -3.739 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.285 0 C4'-C3'-C2' 100.293 -2.407 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C5'-C4'-C3' 112.398 -2.068 . 0.958 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.703 0 P-O3'-C3' 123.074 2.811 . 0.19 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C4'-C3'-C2' 99.258 -3.442 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C4'-C3'-C2' 98.759 -3.941 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 1 C4'-C3'-C2' 98.37 -4.33 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 C4'-C3'-C2' 98.719 -3.981 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.915 -3.785 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.869 1 C4'-C3'-C2' 98.486 -4.214 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 C4'-C3'-C2' 99.526 -3.174 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.163 0 O4'-C4'-C3' 110.009 3.221 . 0.551 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.569 0 C5'-C4'-C3' 110.508 -3.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 1 C4'-C3'-C2' 98.69 -4.01 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.949 0 C4'-C3'-C2' 98.926 -3.774 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.897 -2.803 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.819 0.342 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -109.13 122.29 46.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.465 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -109.93 139.14 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.73 -169.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 122' ' ' LEU . 50.6 t -78.45 129.06 34.47 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.463 171.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -111.32 24.57 12.68 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.24 154.53 23.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.165 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.77 114.76 2.02 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 -172.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.6 t30 69.77 15.11 8.04 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.04 -78.41 0.25 Allowed 'General case' 0 CA--C 1.564 1.491 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.9 13.78 75.68 Favored Glycine 0 CA--C 1.554 2.474 0 CA-C-N 116.323 -0.398 . . . . 0.0 113.435 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 39.1 tttp -69.7 143.33 53.15 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 117.49 0.645 . . . . 0.0 110.626 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.79 137.51 54.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.932 0.396 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -126.15 156.77 39.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.198 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.18 -45.33 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.989 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.532 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 11.7 mttp -137.44 153.93 50.03 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.007 -170.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.2 -28.66 69.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.596 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -64.01 -35.82 81.98 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 122.378 -0.201 . . . . 0.0 110.963 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -72.63 -36.09 67.95 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.651 0.263 . . . . 0.0 110.73 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.9 tp -61.18 -47.03 88.04 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 120.614 0.245 . . . . 0.0 110.554 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.21 -43.45 82.8 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.677 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.654 HG21 HD23 ' A' ' 148' ' ' LEU . 13.1 t -58.3 -41.07 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 0.0 110.968 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.5 t60 -69.42 -45.03 70.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.221 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.63 -31.74 72.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.85 54.55 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.449 0.166 . . . . 0.0 110.882 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -68.33 -46.61 69.73 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 122.379 -0.201 . . . . 0.0 111.21 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.22 -36.4 83.95 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.089 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -82.55 -19.28 38.91 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.24 31.5 18.55 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.292 0.637 . . . . 0.0 111.941 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.53 156.27 44.44 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.5 mt -95.66 132.05 28.18 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.148 -169.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.0 Cg_endo -78.99 -37.29 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.515 2.143 . . . . 0.0 113.211 -171.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -97.74 94.22 6.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -98.97 141.58 31.55 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.99 119.88 78.45 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.504 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -92.01 5.63 3.56 Favored 'Trans proline' 0 CA--C 1.552 1.377 0 C-N-CA 122.82 2.346 . . . . 0.0 113.268 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -71.73 148.88 45.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.985 0.421 . . . . 0.0 111.0 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.31 128.34 35.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.88 2.13 81.65 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.724 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.0 t -120.69 152.9 37.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 120.99 0.424 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -148.93 17.05 0.97 Allowed 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 149.72 49.98 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.641 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -135.04 150.39 50.29 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.11 163.6 29.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.055 -169.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 p -88.23 -20.9 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.696 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.654 HD23 HG21 ' A' ' 124' ' ' VAL . 16.8 mt -138.63 153.97 72.81 Favored Pre-proline 0 N--CA 1.473 0.692 0 CA-C-O 120.699 0.285 . . . . 0.0 111.014 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.6 Cg_endo -67.54 -33.59 28.35 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.521 2.148 . . . . 0.0 112.264 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.7 p -63.4 -37.95 89.26 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.987 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -42.57 74.83 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.16 -46.74 85.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.647 0.261 . . . . 0.0 110.823 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -59.13 -35.84 74.16 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.25 -32.86 64.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.983 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.32 -38.1 89.14 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.643 0.259 . . . . 0.0 111.05 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.77 -31.28 68.23 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.64 0.257 . . . . 0.0 110.931 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -59.76 -25.81 65.18 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.434 HG22 " H2'" ' B' ' 5' ' ' ' C' . 45.2 t -61.67 -42.88 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.834 0.349 . . . . 0.0 110.43 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -74.99 -28.8 60.69 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.35 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.91 62.62 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.643 0.259 . . . . 0.0 110.814 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 170.65 46.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.382 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.07 94.72 45.06 Favored Pre-proline 0 C--O 1.237 0.434 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.18 146.32 14.12 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.506 2.137 . . . . 0.0 112.63 -171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -75.33 140.82 43.32 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.149 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -142.61 13.52 1.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.381 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.65 -23.7 66.19 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.12 142.55 26.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.508 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.15 -21.09 64.03 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.639 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.3 m -98.19 18.2 16.81 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 120.498 0.19 . . . . 0.0 111.168 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.33 160.56 14.19 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.9 t -153.29 8.34 0.4 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -65.38 138.64 58.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.31 124.08 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.27 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.41 139.84 15.78 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.116 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.0 -19.77 64.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.518 0.199 . . . . 0.0 111.036 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.0 161.31 41.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.454 176.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.428 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.8 t-105 -57.95 -39.0 77.01 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -175.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.39 -47.02 82.78 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.457 0.17 . . . . 0.0 111.07 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.93 -35.55 78.74 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.168 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -68.89 -48.21 63.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.62 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.5 mt -59.62 -39.58 84.71 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -63.98 -43.99 94.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -61.88 -42.61 99.26 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 120.679 0.276 . . . . 0.0 110.774 176.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.87 -45.02 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.1 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.51 73.6 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.658 0.266 . . . . 0.0 111.114 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -89.25 -31.0 18.09 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.9 m -110.31 -20.15 12.73 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -169.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -136.59 19.24 3.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -153.72 179.31 8.96 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.858 0.361 . . . . 0.0 110.808 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 22.4 t0 . . . . . 0 N--CA 1.476 0.843 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.36 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.091 0 C4'-C3'-C2' 99.761 -2.939 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 C4'-C3'-C2' 99.439 -3.261 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 1 C4'-C3'-C2' 98.581 -4.119 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C4'-C3'-C2' 99.409 -3.291 . 0.966 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.434 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.503 -2.487 0 C4'-C3'-O3' 102.997 -2.924 . 0.384 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.297 1 O4'-C4'-C3' 111.409 4.22 . 0.588 4a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C4'-C3'-C2' 99.117 -3.583 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 C3'-C2'-C1' 97.739 -4.179 . 0.661 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.081 -3.619 . 0.711 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.067 0 C4'-C3'-C2' 99.654 -3.046 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 1 C5'-C4'-O4' 115.335 4.382 . 0.25 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 C5'-C4'-C3' 110.042 -3.639 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 C3'-C2'-C1' 99.631 -2.077 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.531 0 C5'-C4'-C3' 110.708 -3.194 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.879 0 C5'-C4'-O4' 114.089 3.492 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.029 0 C4'-C3'-C2' 98.759 -3.941 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.011 1 C4'-C3'-C2' 98.196 -4.504 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.472 0 C4'-C3'-C2' 99.271 -3.429 . 0.94 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.062 1 C5'-C4'-O4' 115.581 4.558 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.843 0 C4'-C3'-C2' 98.792 -3.908 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 0 C4'-C3'-C2' 99.046 -3.654 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O5'-C5'-C4' 113.078 2.056 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C5'-C4'-C3' 109.614 -3.924 . 0.709 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C5'-C4'-O4' 113.942 3.387 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 1 C3'-C2'-C1' 95.509 -6.657 . 0.466 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.532 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.544 2.581 0 C4'-C3'-C2' 99.099 -3.601 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 P-O3'-C3' 124.425 3.938 . 0.706 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 P-O3'-C3' 122.933 2.695 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.218 0 C4'-C3'-C2' 99.244 -3.456 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C4'-C3'-C2' 99.151 -3.549 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.228 0 C5'-C4'-O4' 112.834 2.596 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C4'-C3'-C2' 99.256 -3.444 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.478 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.16 0 C3'-C2'-C1' 102.931 1.589 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 0 O5'-C5'-C4' 112.753 1.823 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.478 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O5'-C5'-C4' 113.952 2.68 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 P-O3'-C3' 122.975 2.729 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.957 1 C4'-C3'-C2' 96.997 -5.703 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.43 1 C5'-C4'-O4' 115.32 4.371 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 1 C4'-C3'-C2' 98.255 -4.445 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 C4'-C3'-C2' 99.063 -3.637 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 0 C4'-C3'-C2' 99.642 -3.058 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 100.814 -1.886 . 0.949 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.065 0 O5'-C5'-C4' 114.558 3.113 . 0.2 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.474 -3.226 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.097 -3.603 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 98.778 -3.922 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 98.723 -3.977 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 C4'-C3'-C2' 98.812 -3.888 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.823 1 C4'-C3'-C2' 98.484 -4.216 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 99.343 -3.357 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.9 0 O4'-C4'-C3' 109.718 3.013 . 0.534 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.395 0 C4'-C3'-C2' 99.937 -2.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 98.889 -3.811 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 0 C4'-C3'-C2' 99.048 -3.652 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 100.066 -2.634 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 120.887 0.375 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.25 123.33 49.08 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.226 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.36 139.06 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.797 -169.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.408 ' HA ' HD11 ' A' ' 122' ' ' LEU . 42.8 t -77.98 128.05 33.3 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.479 171.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -109.95 23.73 13.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.915 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.68 154.24 25.87 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 170.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.02 114.71 2.05 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 -172.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.13 8.04 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.643 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.56 -78.48 0.24 Allowed 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 120.687 0.279 . . . . 0.0 111.095 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.52 14.17 77.53 Favored Glycine 0 CA--C 1.554 2.491 0 CA-C-N 116.354 -0.384 . . . . 0.0 113.452 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.4 tttp -69.78 143.33 53.01 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 117.481 0.641 . . . . 0.0 110.626 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.06 137.81 54.53 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.896 0.379 . . . . 0.0 111.131 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.34 155.58 41.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.172 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.497 ' HE2' ' HZ1' ' A' ' 118' ' ' LYS . 72.2 tttt -65.14 -40.95 95.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.021 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.497 ' HZ1' ' HE2' ' A' ' 117' ' ' LYS . 13.0 mmtp -132.49 145.47 51.19 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.804 0.335 . . . . 0.0 110.561 -173.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -63.62 -28.71 70.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.647 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -63.98 -31.58 72.82 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 122.209 -0.307 . . . . 0.0 111.053 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.15 -38.15 66.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.655 0.264 . . . . 0.0 110.677 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 107' ' ' CYS . 34.0 tp -59.95 -46.99 87.61 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.869 0.366 . . . . 0.0 110.466 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -57.05 -43.68 82.23 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.22 -41.23 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.424 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.2 t60 -68.69 -45.0 72.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.247 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.75 -31.83 73.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.451 0.167 . . . . 0.0 111.347 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -28.8 53.04 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.799 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.75 -46.99 70.54 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 122.46 -0.15 . . . . 0.0 111.218 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.47 -36.34 83.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.744 0.307 . . . . 0.0 111.024 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 68.5 p -82.06 -18.79 41.91 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.64 31.47 17.37 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.317 0.647 . . . . 0.0 111.858 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.52 155.3 45.98 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.8 mt -94.45 133.36 27.14 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 120.634 0.255 . . . . 0.0 111.265 -169.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.98 -36.71 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.53 2.153 . . . . 0.0 113.207 -171.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.514 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.57 94.09 5.94 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.518 -170.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -102.99 141.96 34.9 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.7 t -74.7 120.98 84.18 Favored Pre-proline 0 CA--C 1.565 1.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.472 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -92.36 5.41 3.45 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 C-N-CA 122.9 2.4 . . . . 0.0 113.163 -173.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -65.94 148.92 51.03 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.36 121.72 15.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.93 1.72 76.08 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.57 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.7 t -116.53 155.36 28.79 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.544 0.338 . . . . 0.0 110.646 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -153.54 14.94 0.5 Allowed 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.684 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -65.85 146.63 54.51 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.722 0.296 . . . . 0.0 110.497 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -133.4 150.85 51.79 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.572 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -134.16 160.37 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.08 -169.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.1 m -84.33 -28.31 27.16 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.571 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 124' ' ' VAL . 4.1 mm? -132.52 154.7 81.63 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-O 120.606 0.241 . . . . 0.0 110.546 -177.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.6 Cg_endo -66.91 -30.48 39.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.559 2.172 . . . . 0.0 112.424 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.0 p -61.15 -37.59 83.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -72.96 -40.85 64.99 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.66 -44.18 91.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.652 0.263 . . . . 0.0 110.635 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -54.99 -45.86 75.08 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.712 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.07 -30.45 69.65 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.154 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -69.11 -41.18 77.76 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.446 0.165 . . . . 0.0 110.963 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.84 -31.61 68.66 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.559 0.219 . . . . 0.0 110.881 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -59.82 -25.94 65.38 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.439 HG22 " H2'" ' B' ' 5' ' ' ' C' . 40.1 t -61.75 -42.39 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 120.721 0.296 . . . . 0.0 110.335 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.27 -30.05 60.32 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.332 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.86 -26.22 63.16 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 120.703 0.287 . . . . 0.0 110.812 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.97 169.95 43.85 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.534 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.07 94.8 44.95 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.49 145.99 13.48 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.502 2.135 . . . . 0.0 112.555 -171.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.5 t -74.28 142.0 45.28 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.025 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.12 13.12 1.83 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.315 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -66.03 -23.4 66.55 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -148.28 144.27 27.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.795 0.331 . . . . 0.0 110.571 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -65.08 -26.95 68.45 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.432 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 54.3 m -95.65 17.01 15.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.263 0.225 . . . . 0.0 111.302 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.78 160.09 14.53 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.99 6.55 0.38 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.29 138.26 58.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.752 0.311 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.3 t -128.35 123.78 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.288 170.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.96 139.52 15.81 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.138 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.19 -19.43 63.98 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.579 0.228 . . . . 0.0 111.092 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.97 160.82 41.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.843 0.354 . . . . 0.0 110.48 176.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.88 -38.85 76.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.283 -175.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.16 -47.57 80.86 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.437 0.161 . . . . 0.0 111.122 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.01 -35.31 78.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.144 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -68.54 -48.02 65.38 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.559 0.219 . . . . 0.0 110.618 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 38.1 mt -61.04 -39.93 91.67 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -63.9 -43.65 95.33 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.817 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.87 -41.98 98.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.74 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.9 t -63.22 -45.07 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.087 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.21 75.31 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.981 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.28 -27.71 20.38 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.35 -20.97 11.63 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -169.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -132.62 10.12 4.33 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -143.57 175.89 9.62 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.473 0.72 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.639 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 99.338 -3.362 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.572 -3.128 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 98.867 -3.833 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.661 -3.039 . 0.948 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.439 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.504 -2.36 0 C4'-C3'-C2' 100.15 -2.55 . 0.354 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.001 0 O4'-C4'-C3' 111.039 3.957 . 0.597 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 P-O3'-C3' 124.315 3.846 . 0.576 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 1 C3'-C2'-C1' 97.653 -4.275 . 0.668 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.414 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.035 -3.665 . 0.711 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C4'-C3'-C2' 99.618 -3.082 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 C5'-C4'-O4' 114.866 4.047 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 0 C5'-C4'-C3' 110.726 -3.183 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 C3'-C2'-C1' 99.246 -2.504 . 0.169 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 O5'-C5'-C4' 114.72 3.229 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.926 0 C5'-C4'-O4' 114.074 3.482 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 C4'-C3'-C2' 98.758 -3.942 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 1 C4'-C3'-C2' 98.239 -4.461 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C4'-C3'-C2' 99.308 -3.392 . 0.932 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 1 C4'-C3'-C2' 98.632 -4.068 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 1 C4'-C3'-C2' 98.546 -4.154 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 1 C4'-C3'-C2' 98.64 -4.06 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C5'-C4'-O4' 112.902 2.644 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 C5'-C4'-C3' 108.32 -4.787 . 0.754 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C5'-C4'-O4' 113.051 2.75 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 2 C3'-C2'-C1' 95.132 -7.075 . 0.624 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 0 P-O3'-C3' 124.162 3.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 P-O3'-C3' 124.581 4.067 . 0.733 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.675 0 C4'-C3'-C2' 100.023 -2.677 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 C4'-C3'-C2' 99.237 -3.463 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 98.983 -3.717 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C5'-C4'-O4' 112.77 2.55 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.216 -3.484 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.481 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.144 0 C3'-C2'-C1' 102.883 1.536 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.476 0 O5'-C5'-C4' 112.725 1.804 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.481 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O5'-C5'-C4' 113.984 2.703 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 P-O3'-C3' 122.992 2.744 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 1 C4'-C3'-C2' 96.888 -5.812 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.566 1 C5'-C4'-O4' 115.327 4.376 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 1 C4'-C3'-C2' 98.297 -4.403 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.174 0 C4'-C3'-C2' 99.469 -3.231 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.674 -3.026 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 0 C4'-C3'-C2' 100.697 -2.003 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.177 0 O5'-C5'-C4' 114.855 3.325 . 0.181 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.906 0 C4'-C3'-C2' 99.594 -3.106 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 99.314 -3.386 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 98.902 -3.798 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 C4'-C3'-C2' 98.598 -4.102 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C4'-C3'-C2' 98.816 -3.884 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.803 1 C4'-C3'-C2' 98.637 -4.063 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.991 0 C4'-C3'-C2' 99.445 -3.255 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 O4'-C4'-C3' 109.626 2.947 . 0.607 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.462 0 C5'-C4'-C3' 110.832 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 C4'-C3'-C2' 99.003 -3.697 . 0.923 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 99.037 -3.663 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.968 -2.732 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -109.12 118.82 37.74 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.182 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.4 t -111.17 139.05 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.829 -168.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.7 128.1 33.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.544 170.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -110.07 24.22 13.31 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.78 153.63 28.03 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.69 114.72 1.99 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 120.78 0.324 . . . . 0.0 111.185 -172.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.8 t30 69.75 15.26 8.04 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.711 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.1 -78.42 0.25 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 120.746 0.308 . . . . 0.0 110.948 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.34 15.55 74.98 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 113.415 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.6 tttp -69.74 142.76 53.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.556 0.678 . . . . 0.0 110.498 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.98 138.06 54.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.899 0.38 . . . . 0.0 111.201 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.19 155.35 41.9 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.03 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -71.3 -35.3 71.22 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.617 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 6.9 mttp -130.85 150.57 51.96 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 120.925 0.393 . . . . 0.0 111.272 -178.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -67.98 -28.77 67.73 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.767 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -64.83 -31.71 73.07 Favored 'General case' 0 CA--C 1.558 1.285 0 O-C-N 122.183 -0.323 . . . . 0.0 110.964 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -73.02 -37.23 67.0 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.715 0.293 . . . . 0.0 110.685 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.04 -47.11 87.2 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 120.701 0.286 . . . . 0.0 110.449 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -57.26 -44.1 83.62 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 148' ' ' LEU . 7.4 t -58.11 -41.18 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.414 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.8 t60 -68.99 -45.04 71.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.244 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.6 -31.81 73.05 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.84 -0.164 . . . . 0.0 111.389 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.82 52.93 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.828 175.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.0 t -67.6 -46.99 71.0 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 122.423 -0.173 . . . . 0.0 111.173 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.46 -36.34 83.87 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.029 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -81.69 -18.21 45.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.74 16.71 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.96 -175.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -131.03 156.0 45.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.229 169.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.63 131.54 29.23 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.009 -169.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -79.19 -38.1 0.46 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.502 2.134 . . . . 0.0 113.282 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.3 m-85 -95.74 94.49 7.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.474 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.21 142.97 30.01 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.865 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.16 120.71 82.72 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.51 4.63 5.01 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 C-N-CA 122.804 2.336 . . . . 0.0 113.195 -172.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.93 144.08 57.36 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.922 0.391 . . . . 0.0 111.049 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.42 109.38 3.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 106.78 -2.77 36.08 Favored Glycine 0 CA--C 1.545 1.927 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -108.01 155.74 20.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -145.13 12.15 1.38 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.27 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -65.33 144.02 57.38 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.665 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -133.33 150.36 51.86 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.395 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -134.05 158.24 44.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.923 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.7 p -83.04 -26.76 30.86 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.465 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.2 154.85 81.78 Favored Pre-proline 0 N--CA 1.476 0.841 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.3 Cg_endo -66.4 -31.76 42.07 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.8 m -64.48 -38.48 91.15 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.32 -41.77 84.76 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.74 -46.58 81.61 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.61 -37.07 82.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.042 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -69.8 -39.69 76.43 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.728 -0.214 . . . . 0.0 110.806 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -59.03 -33.8 71.17 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.723 0.297 . . . . 0.0 110.985 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.4 -31.27 67.53 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 120.697 0.284 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -59.55 -25.73 64.78 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.271 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.461 HG22 " H2'" ' B' ' 5' ' ' ' C' . 38.4 t -61.74 -42.0 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-O 120.605 0.241 . . . . 0.0 110.651 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.05 -30.29 55.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.267 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.01 64.9 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.63 174.58 48.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.587 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.17 94.87 44.65 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.78 142.25 15.81 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 122.407 2.071 . . . . 0.0 112.361 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.48 141.37 50.21 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -141.98 12.01 2.02 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.628 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.08 -23.56 65.86 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.105 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -151.23 145.32 25.3 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.844 0.354 . . . . 0.0 110.739 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.77 -28.26 68.9 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.491 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -94.86 18.97 10.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.252 0.221 . . . . 0.0 111.127 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 t -114.47 135.08 54.5 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.18 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 30.4 m -136.09 16.49 3.25 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 142.11 58.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.645 0.259 . . . . 0.0 110.837 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.4 t -128.22 122.64 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 120.849 0.356 . . . . 0.0 110.369 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.53 132.65 11.22 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.12 -15.54 63.78 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 122.824 -0.221 . . . . 0.0 111.148 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.92 162.17 41.32 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 120.78 0.324 . . . . 0.0 110.359 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.447 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.7 t-105 -57.72 -40.5 79.72 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.333 -175.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.1 p -57.02 -47.63 80.41 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.18 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.87 -35.47 78.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.846 -0.161 . . . . 0.0 111.297 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -69.38 -48.08 62.25 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.652 0.263 . . . . 0.0 110.665 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.6 mt -59.99 -41.9 93.06 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.063 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -65.07 -41.55 94.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.977 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.84 -43.14 99.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.691 0.282 . . . . 0.0 110.706 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 t -62.23 -45.0 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.112 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.55 73.95 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.732 0.301 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -89.3 -30.09 18.7 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.931 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.39 -20.97 12.73 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -169.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -133.92 11.41 3.96 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.47 174.74 10.49 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.887 0.375 . . . . 0.0 110.604 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.983 0 C4'-C3'-C2' 99.237 -3.463 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.474 -3.226 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C4'-C3'-C2' 98.734 -3.966 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.571 -3.129 . 0.95 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.461 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.539 2.219 1 O5'-C5'-C4' 115.954 4.11 . 0.313 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.67 0 O4'-C4'-C3' 110.569 3.62 . 0.658 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 P-O3'-C3' 123.501 3.167 . 0.59 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 C3'-C2'-C1' 97.55 -4.388 . 0.666 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.432 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C4'-C3'-C2' 99.271 -3.429 . 0.695 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 0 C4'-C3'-C2' 99.646 -3.054 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 C5'-C4'-O4' 115.15 4.25 . 0.259 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.608 0 C5'-C4'-C3' 110.041 -3.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.499 0 C3'-C2'-C1' 99.695 -2.006 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.607 -3.262 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.845 0 C5'-C4'-O4' 114.119 3.513 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 98.76 -3.94 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.367 -4.333 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.494 0 C4'-C3'-C2' 99.334 -3.366 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 1 C5'-C4'-O4' 114.93 4.093 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.911 0 C4'-C3'-C2' 98.809 -3.891 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C4'-C3'-C2' 98.7 -4.0 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C5'-C4'-O4' 112.802 2.573 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 1 C5'-C4'-C3' 108.551 -4.633 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 C5'-C4'-O4' 113.259 2.899 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.516 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 2.0 1 C3'-C2'-C1' 96.298 -5.779 . 0.6 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.617 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-C2' 101.009 -3.851 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 P-O3'-C3' 124.154 3.711 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.754 0 C4'-C3'-C2' 100.044 -2.656 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 C4'-C3'-C2' 99.233 -3.467 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.965 0 C4'-C3'-C2' 99.08 -3.62 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 0 C5'-C4'-O4' 112.815 2.582 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C4'-C3'-C2' 99.257 -3.443 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.145 0 C3'-C2'-C1' 102.889 1.544 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.533 0 O5'-C5'-C4' 112.769 1.835 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O5'-C5'-C4' 113.925 2.66 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 P-O3'-C3' 122.968 2.723 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 1 C4'-C3'-C2' 96.985 -5.715 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 1 C5'-C4'-O4' 115.352 4.394 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 1 C4'-C3'-C2' 98.381 -4.319 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.697 0 C4'-C3'-C2' 98.962 -3.738 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.629 -3.071 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 100.777 -1.923 . 0.943 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.928 0 O5'-C5'-C4' 114.357 2.969 . 0.197 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 99.488 -3.212 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 98.98 -3.72 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 C4'-C3'-C2' 98.641 -4.059 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 0 C4'-C3'-C2' 98.792 -3.908 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 98.775 -3.925 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.789 1 C4'-C3'-C2' 98.51 -4.19 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.999 0 C4'-C3'-C2' 99.312 -3.388 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 0 O4'-C4'-C3' 109.716 3.012 . 0.581 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C5'-C4'-C3' 110.9 -3.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.095 0 C4'-C3'-C2' 98.913 -3.787 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.941 0 C4'-C3'-C2' 98.981 -3.719 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 99.863 -2.837 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -109.1 123.4 49.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.322 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.18 139.16 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -169.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.42 128.7 33.99 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.428 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.61 24.35 13.07 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.881 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.12 25.02 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.84 114.72 2.01 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 120.84 0.352 . . . . 0.0 111.246 -172.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.5 t30 69.76 15.07 8.06 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.89 -79.18 0.23 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.69 15.15 77.81 Favored Glycine 0 CA--C 1.556 2.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 113.421 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.2 tttp -70.57 143.31 51.61 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.495 0.648 . . . . 0.0 110.669 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.69 137.41 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.873 0.368 . . . . 0.0 111.121 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.23 156.24 40.58 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.224 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.518 ' HE3' ' HZ1' ' A' ' 118' ' ' LYS . 37.2 tttp -65.39 -40.45 93.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.247 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HZ1' ' HE3' ' A' ' 117' ' ' LYS . 12.9 mmtp -133.92 147.26 51.07 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.769 0.319 . . . . 0.0 110.725 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -63.06 -28.81 70.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.626 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -64.5 -31.91 73.32 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 122.445 -0.159 . . . . 0.0 111.02 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -73.09 -37.53 66.71 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.731 0.3 . . . . 0.0 110.82 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.47 -47.1 87.19 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.814 0.34 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -58.12 -41.11 82.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 148' ' ' LEU . 10.2 t -59.97 -41.23 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 176.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.8 t60 -69.16 -45.03 71.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.255 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.5 -31.82 73.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.431 0.158 . . . . 0.0 111.252 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.88 55.05 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.959 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 -46.62 69.24 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.407 -0.183 . . . . 0.0 111.232 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -64.07 -36.4 83.89 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.988 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.4 -18.68 41.08 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 31.68 17.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.383 0.673 . . . . 0.0 111.902 -175.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.56 156.42 44.86 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.384 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.48 131.38 31.13 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.924 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.51 -36.94 0.78 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.568 2.179 . . . . 0.0 113.345 -170.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.55 96.69 7.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.535 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.93 143.03 30.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.814 0.34 . . . . 0.0 110.932 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.7 t -76.06 120.8 83.26 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.469 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.24 4.74 4.6 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.827 2.351 . . . . 0.0 113.2 -173.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -65.84 149.25 50.47 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.137 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.91 121.69 15.22 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.45 0.2 79.85 Favored Glycine 0 CA--C 1.546 2.019 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.723 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.21 152.5 24.0 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.776 0.322 . . . . 0.0 110.685 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -145.92 11.7 1.24 Allowed 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.27 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 146.84 53.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.902 0.382 . . . . 0.0 110.749 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -132.88 152.96 51.78 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -133.75 157.53 45.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.07 -169.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 124' ' ' VAL . 5.1 p -80.9 -28.02 36.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.43 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -128.98 154.87 80.39 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-O 120.731 0.301 . . . . 0.0 110.849 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.8 Cg_endo -66.76 -34.93 29.64 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.363 2.042 . . . . 0.0 112.082 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.5 p -64.01 -34.71 78.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -72.92 -38.14 66.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.0 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.94 -46.42 78.25 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 172.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.01 -40.11 79.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -72.35 -36.91 68.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.989 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -59.01 -33.72 71.05 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.796 0.331 . . . . 0.0 110.926 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.38 -30.55 66.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.749 0.309 . . . . 0.0 110.694 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.53 -25.71 64.73 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.345 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.443 HG22 " H2'" ' B' ' 5' ' ' ' C' . 39.2 t -61.83 -42.32 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-O 120.669 0.271 . . . . 0.0 110.538 174.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -76.27 -29.31 57.38 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.19 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.01 64.91 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.623 0.249 . . . . 0.0 110.895 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.68 173.98 48.15 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.408 -0.36 . . . . 0.0 112.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -124.09 94.67 45.1 Favored Pre-proline 0 C--O 1.237 0.43 0 C-N-CA 122.53 0.332 . . . . 0.0 110.109 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.48 139.7 13.01 Favored 'Trans proline' 0 N--CA 1.441 -1.592 0 C-N-CA 122.239 1.959 . . . . 0.0 112.19 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.86 141.3 53.23 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.035 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -139.84 11.66 2.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.433 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -68.1 -21.92 64.93 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.081 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -149.19 141.45 24.08 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.408 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -68.36 -21.4 64.73 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.555 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 67.2 m -99.45 17.17 20.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.149 0.18 . . . . 0.0 111.31 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -92.78 159.55 15.35 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.1 p -149.36 2.54 0.56 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -65.37 138.49 58.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.728 0.299 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.5 t -128.24 120.63 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.233 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.16 136.89 14.88 Favored Glycine 0 N--CA 1.476 1.335 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.147 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -65.96 -19.09 65.75 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.722 -0.281 . . . . 0.0 111.068 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.08 162.09 41.09 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.906 0.384 . . . . 0.0 110.668 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.1 t-105 -57.74 -40.94 80.85 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.374 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.6 p -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.168 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.7 -33.37 75.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.346 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -71.01 -48.09 55.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.658 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 177' ' ' TRP . 71.2 mt -60.15 -41.4 92.67 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.03 -43.39 95.74 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.973 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -61.85 -40.23 94.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.28 -45.11 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.95 71.59 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.757 -0.202 . . . . 0.0 111.268 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.26 -43.03 11.26 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 5.9 t -94.11 -20.45 19.88 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -169.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -129.91 48.68 2.36 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.087 0.47 . . . . 0.0 110.72 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -50.91 -37.07 41.7 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.365 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.941 0.4 . . . . 0.0 110.827 179.621 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C4'-C3'-C2' 99.135 -3.565 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.883 0 C4'-C3'-C2' 99.42 -3.28 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.133 0 C4'-C3'-C2' 98.826 -3.874 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.717 -2.983 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.443 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.541 2.408 0 O5'-C5'-C4' 115.618 3.87 . 0.313 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.652 1 O4'-C4'-C3' 111.173 4.052 . 0.651 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 P-O3'-C3' 124.244 3.787 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 C3'-C2'-C1' 97.585 -4.35 . 0.66 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.4 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C4'-C3'-C2' 99.12 -3.58 . 0.694 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.987 0 C4'-C3'-C2' 99.831 -2.869 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 1 C5'-C4'-O4' 114.963 4.117 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.963 0 C5'-C4'-O4' 113.65 3.178 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C3'-C2'-C1' 99.168 -2.591 . 0.186 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.464 0 O5'-C5'-C4' 114.814 3.296 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.795 0 C5'-C4'-O4' 114.32 3.657 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 1 C4'-C3'-C2' 98.651 -4.049 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.04 1 C4'-C3'-C2' 98.234 -4.466 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 1 C4'-C3'-C2' 98.242 -4.458 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.188 -3.512 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 1 C4'-C3'-C2' 98.392 -4.308 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 98.89 -3.81 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.965 -2.735 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C5'-C4'-C3' 109.581 -3.946 . 0.615 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 1 C5'-C4'-O4' 114.866 4.047 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 1 C3'-C2'-C1' 95.985 -6.128 . 0.32 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.083 0 C3'-C2'-C1' 98.057 -3.825 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 P-O3'-C3' 124.544 4.037 . 0.725 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.718 0 C4'-C3'-C2' 99.721 -2.979 . 0.477 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 0 C4'-C3'-C2' 98.963 -3.737 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.899 0 C4'-C3'-C2' 98.979 -3.721 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 0 C5'-C4'-O4' 112.772 2.552 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 C4'-C3'-C2' 99.201 -3.499 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C3'-C2'-C1' 102.885 1.539 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.503 0 O5'-C5'-C4' 112.699 1.785 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O5'-C5'-C4' 113.98 2.7 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 P-O3'-C3' 123.014 2.762 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.023 1 C4'-C3'-C2' 96.925 -5.775 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 1 C5'-C4'-O4' 115.348 4.392 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 1 C4'-C3'-C2' 98.108 -4.592 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C4'-C3'-C2' 98.84 -3.86 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C4'-C3'-C2' 99.391 -3.309 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C4'-C3'-C2' 101.025 -1.675 . 0.931 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.811 0 P-O3'-C3' 123.131 2.859 . 0.198 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.307 -3.393 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 98.845 -3.855 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 1 C4'-C3'-C2' 98.523 -4.177 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C4'-C3'-C2' 98.732 -3.968 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C4'-C3'-C2' 98.769 -3.931 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.785 1 C4'-C3'-C2' 98.617 -4.083 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.993 0 C4'-C3'-C2' 99.538 -3.162 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.339 0 O4'-C4'-C3' 109.818 3.084 . 0.576 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.686 0 C5'-C4'-C3' 110.49 -3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 98.74 -3.96 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 C4'-C3'-C2' 99.019 -3.681 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.957 -2.743 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 120.773 0.321 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.16 123.1 48.66 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.31 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.1 t -111.09 139.15 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.602 -169.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.17 128.93 34.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.467 171.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -111.11 24.89 12.35 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -61.62 155.12 23.21 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.09 170.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.05 114.68 2.04 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.851 0.358 . . . . 0.0 111.166 -172.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.4 t30 69.76 15.0 8.06 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.2 t -85.59 -79.02 0.25 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 120.698 0.285 . . . . 0.0 110.983 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.68 15.13 75.54 Favored Glycine 0 CA--C 1.553 2.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.39 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.1 tttp -69.74 142.65 53.23 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 117.509 0.654 . . . . 0.0 110.573 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.53 136.95 54.92 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.986 0.422 . . . . 0.0 111.19 -173.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -126.05 156.75 39.47 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.009 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.542 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 13.2 mttp -137.98 153.75 49.41 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.757 0.313 . . . . 0.0 111.272 -169.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -63.65 -28.8 70.16 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -63.89 -36.93 85.56 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 122.415 -0.178 . . . . 0.0 110.948 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.05 -35.63 66.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.676 0.275 . . . . 0.0 110.723 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.7 tp -62.18 -47.19 85.59 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 120.743 0.306 . . . . 0.0 110.66 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -61.95 -38.35 88.16 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.784 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.607 HG21 HD23 ' A' ' 148' ' ' LEU . 7.9 t -60.02 -41.13 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.9 t60 -68.51 -44.89 73.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.188 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.45 -31.72 72.96 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.394 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.84 54.33 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 120.415 0.15 . . . . 0.0 110.81 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.1 t -67.91 -46.67 70.92 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.265 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.41 -36.4 84.02 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.023 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.8 p -82.15 -18.48 42.67 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.95 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.51 30.81 15.85 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.4 0.68 . . . . 0.0 111.97 -176.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.88 156.34 43.82 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.31 . . . . 0.0 110.333 169.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.4 mt -96.4 131.35 28.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -79.04 -36.93 0.62 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.604 2.203 . . . . 0.0 113.276 -171.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.1 m-85 -96.79 92.54 6.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.98 0.419 . . . . 0.0 110.668 -169.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.19 140.19 30.45 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.96 119.85 78.3 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.443 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.55 5.29 4.78 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 C-N-CA 122.854 2.369 . . . . 0.0 113.221 -173.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.17 147.04 54.18 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.8 118.79 10.16 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 93.89 1.48 65.41 Favored Glycine 0 CA--C 1.544 1.905 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.691 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.3 t -110.99 154.04 24.71 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.86 0.362 . . . . 0.0 110.699 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.55 13.4 1.36 Allowed 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.25 145.27 56.45 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.713 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -133.49 151.75 51.81 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -134.05 160.49 37.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.302 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.9 p -84.99 -22.28 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.497 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.607 HD23 HG21 ' A' ' 124' ' ' VAL . 17.8 mt -138.49 153.59 72.75 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 120.703 0.287 . . . . 0.0 110.883 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 31.6 Cg_endo -67.14 -30.58 37.98 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.521 2.147 . . . . 0.0 112.206 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.3 p -64.02 -39.01 93.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -37.48 66.96 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.05 -44.48 92.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 120.774 0.321 . . . . 0.0 110.705 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.09 -38.61 91.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.939 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.9 mtm-85 -69.84 -33.74 72.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.772 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.24 -36.38 83.89 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 120.579 0.228 . . . . 0.0 110.777 172.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.74 -31.58 68.44 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.713 0.292 . . . . 0.0 110.986 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.0 -25.67 65.46 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.153 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.522 HG22 " H2'" ' B' ' 5' ' ' ' C' . 22.8 t -61.79 -42.18 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-O 120.859 0.362 . . . . 0.0 110.294 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -77.08 -32.32 56.61 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.0 64.82 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.678 0.275 . . . . 0.0 110.925 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.1 169.71 39.55 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.47 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.09 94.78 44.92 Favored Pre-proline 0 N--CA 1.468 0.445 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.22 145.02 15.0 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 122.452 2.101 . . . . 0.0 112.64 -171.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.41 143.22 48.61 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.058 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -142.08 13.1 2.03 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.2 -22.07 64.83 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.119 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -150.43 145.16 25.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.55 -29.01 69.57 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.497 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 56.8 m -97.23 19.25 13.37 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.189 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.8 t -113.23 133.65 54.98 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.167 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.2 m -132.87 15.75 4.28 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.465 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.05 138.41 57.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 43.2 t -128.32 121.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.96 142.4 18.33 Favored Glycine 0 N--CA 1.478 1.438 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.169 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.71 -17.75 62.19 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.428 0.156 . . . . 0.0 111.264 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.28 160.12 42.87 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.02 -38.79 76.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.216 -175.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.1 p -57.65 -46.24 84.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.165 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.17 -34.06 76.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.266 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -69.82 -48.1 60.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.601 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 67.1 mt -60.24 -41.31 92.9 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.99 -42.62 97.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -61.9 -40.91 97.09 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.879 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 11.4 t -61.98 -45.09 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.093 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.53 69.7 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 120.609 0.242 . . . . 0.0 111.089 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -89.42 -43.95 10.51 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.591 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.6 m -97.45 -18.3 19.14 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -133.42 39.83 3.2 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.085 0.469 . . . . 0.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.2 -29.75 70.59 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 179.442 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.157 0 C4'-C3'-C2' 99.297 -3.403 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.245 -3.455 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C4'-C3'-C2' 98.785 -3.915 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.53 -3.17 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.522 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.501 -2.73 0 O5'-C5'-C4' 115.369 3.692 . 0.373 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O5'-C5'-C4' 115.307 3.648 . 0.646 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 O5'-C5'-C4' 115.492 3.78 . 0.531 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 1 C3'-C2'-C1' 96.809 -5.212 . 0.637 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.415 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.35 -3.35 . 0.691 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 0 C4'-C3'-C2' 99.632 -3.068 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C5'-C4'-O4' 115.153 4.252 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.614 0 C5'-C4'-C3' 110.106 -3.596 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 O5'-C5'-C4' 112.678 1.77 . 0.115 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.428 -3.382 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.901 0 C5'-C4'-C3' 110.114 -3.591 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 98.963 -3.737 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.401 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.974 0 C4'-C3'-C2' 98.829 -3.871 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.371 1 C4'-C3'-C2' 98.304 -4.396 . 0.911 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.961 1 C4'-C3'-C2' 98.297 -4.403 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 C4'-C3'-C2' 98.999 -3.701 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.929 0 C4'-C3'-C2' 98.864 -3.836 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 C4'-C3'-C2' 99.827 -2.873 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C5'-C4'-C3' 109.575 -3.95 . 0.583 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-O4' 115.15 4.25 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 C3'-C2'-C1' 95.86 -6.267 . 0.347 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.542 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.546 2.785 0 C4'-C3'-C2' 98.755 -3.945 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 P-O3'-C3' 124.198 3.749 . 0.688 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.713 0 P-O3'-C3' 122.775 2.563 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 C4'-C3'-C2' 99.244 -3.456 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 98.976 -3.724 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.314 0 C5'-C4'-O4' 112.823 2.588 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 99.303 -3.397 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.475 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.161 0 C3'-C2'-C1' 102.9 1.556 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.568 0 O5'-C5'-C4' 112.801 1.858 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.475 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O5'-C5'-C4' 113.973 2.695 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 P-O3'-C3' 123.065 2.804 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.052 1 C4'-C3'-C2' 96.973 -5.727 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 1 C5'-C4'-O4' 115.378 4.413 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 C4'-C3'-C2' 98.251 -4.449 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.745 0 C4'-C3'-C2' 99.507 -3.193 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.084 0 C4'-C3'-C2' 99.568 -3.132 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 100.972 -1.728 . 0.942 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.767 0 P-O3'-C3' 123.165 2.888 . 0.202 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C4'-C3'-C2' 99.373 -3.327 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 98.917 -3.783 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 1 C4'-C3'-C2' 98.685 -4.015 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 98.835 -3.865 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 98.945 -3.755 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 1 C4'-C3'-C2' 98.627 -4.073 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 C4'-C3'-C2' 99.272 -3.428 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.091 0 O4'-C4'-C3' 109.979 3.199 . 0.541 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.551 0 C5'-C4'-C3' 111.028 -2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 98.805 -3.895 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.075 0 C4'-C3'-C2' 99.122 -3.578 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.975 -2.725 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -109.07 123.96 50.0 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.311 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.9 139.17 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.444 -169.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.84 127.64 32.72 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.387 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -109.59 24.08 13.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.94 153.89 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.75 114.68 1.98 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.9 t30 69.74 15.2 8.06 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.676 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.3 t -84.9 -78.63 0.24 Allowed 'General case' 0 CA--C 1.561 1.373 0 CA-C-O 120.759 0.314 . . . . 0.0 111.016 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.95 77.21 Favored Glycine 0 CA--C 1.554 2.478 0 CA-C-N 116.407 -0.36 . . . . 0.0 113.474 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.0 tttp -70.08 143.14 52.53 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 117.45 0.625 . . . . 0.0 110.63 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.29 137.49 54.84 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 120.967 0.413 . . . . 0.0 111.124 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.17 151.51 47.23 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.041 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.49 -34.49 78.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.03 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.474 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 30.6 mmtm -137.81 150.16 46.96 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.153 -174.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -65.2 -28.47 69.41 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.836 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.7 78.43 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 122.253 -0.279 . . . . 0.0 110.551 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -73.15 -36.69 66.7 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.573 0.225 . . . . 0.0 110.696 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.83 -47.19 86.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.769 0.318 . . . . 0.0 110.518 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -59.79 -40.14 87.32 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.642 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 148' ' ' LEU . 5.9 t -60.8 -41.14 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.932 175.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.8 t60 -68.7 -45.07 72.57 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.65 0.262 . . . . 0.0 111.241 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.63 -31.75 72.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.342 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.89 54.06 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.449 0.166 . . . . 0.0 110.845 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.78 -46.73 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 122.403 -0.185 . . . . 0.0 111.236 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.49 -36.39 84.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.089 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.2 p -82.17 -18.63 42.11 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.43 31.51 17.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.39 0.676 . . . . 0.0 111.913 -175.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.65 155.78 45.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 169.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -95.47 132.57 27.35 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.18 -169.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.78 -37.11 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.584 2.19 . . . . 0.0 113.235 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -97.66 92.05 5.7 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 -169.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -96.2 140.93 30.19 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.5 t -73.9 120.66 82.38 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.455 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -88.99 6.08 4.75 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 122.838 2.359 . . . . 0.0 113.318 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.37 143.38 57.07 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.005 0.431 . . . . 0.0 110.997 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 103.42 1.58 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.8 -1.52 28.85 Favored Glycine 0 CA--C 1.545 1.945 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.506 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.73 157.96 16.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.794 0.33 . . . . 0.0 110.636 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -145.78 10.79 1.22 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.433 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.76 144.41 56.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.818 0.342 . . . . 0.0 110.756 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -135.19 153.3 52.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.376 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -134.04 158.19 44.19 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.977 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.0 p -82.15 -28.05 32.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.56 153.04 81.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.636 0.255 . . . . 0.0 110.597 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.2 Cg_endo -66.68 -28.5 44.16 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.551 2.168 . . . . 0.0 112.445 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.5 p -67.0 -37.77 84.81 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -37.08 69.62 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.792 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.7 tp -63.64 -43.8 95.72 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.718 0.294 . . . . 0.0 110.591 171.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.4 -42.07 81.55 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.88 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -37.74 86.15 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.914 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.41 -37.93 89.17 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.501 0.191 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.71 -31.32 68.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -59.72 -25.73 65.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.153 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.496 HG22 " H2'" ' B' ' 5' ' ' ' C' . 35.5 t -61.7 -41.91 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 120.741 0.305 . . . . 0.0 110.454 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -77.06 -30.68 55.65 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.268 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.9 -28.97 64.93 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 120.615 0.245 . . . . 0.0 110.949 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.49 170.66 40.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 116.404 -0.362 . . . . 0.0 112.33 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.08 94.75 45.0 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.6 145.19 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.488 2.125 . . . . 0.0 112.599 -171.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 142.3 44.42 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.1 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -145.22 13.46 1.42 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.466 172.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -62.72 -26.77 68.85 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.739 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -143.31 142.76 31.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.014 171.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.43 -20.39 63.78 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -96.05 17.16 16.08 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.35 0.26 . . . . 0.0 111.25 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.41 134.85 53.72 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.229 175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.0 m -130.95 15.73 5.21 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.532 -172.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.41 139.13 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.34 123.54 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.65 139.04 15.63 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 121.316 -0.468 . . . . 0.0 112.229 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.26 -24.61 67.95 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.175 0.19 . . . . 0.0 110.993 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.32 162.24 39.36 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.719 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.466 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.8 t-105 -58.55 -39.38 80.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.299 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -57.09 -48.07 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.432 0.158 . . . . 0.0 111.089 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.43 -34.44 76.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.239 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -68.63 -48.15 64.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.665 0.269 . . . . 0.0 110.673 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.488 HD22 " H4'" ' B' ' 9' ' ' ' C' . 51.7 mt -60.54 -41.47 94.56 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -65.2 -40.87 94.78 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.978 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -61.83 -41.89 98.35 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.716 0.293 . . . . 0.0 110.682 175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.6 t -63.52 -45.01 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.185 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.86 76.74 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.819 0.342 . . . . 0.0 111.138 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -89.33 -23.87 22.14 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.4 t -116.73 -19.55 9.89 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -133.79 11.47 4.0 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.99 174.27 10.82 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.886 0.374 . . . . 0.0 110.569 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 N--CA 1.475 0.807 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.702 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 0 C4'-C3'-C2' 99.341 -3.359 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 C4'-C3'-C2' 99.271 -3.429 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C4'-C3'-C2' 98.886 -3.814 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.979 -2.721 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.496 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.501 -2.657 1 O5'-C5'-C4' 116.141 4.244 . 0.318 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.402 ' C8 ' ' CE2' ' A' ' 177' ' ' TRP . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O5'-C5'-C4' 117.101 4.929 . 0.662 4a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 O5'-C5'-C4' 115.576 3.84 . 0.496 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 C3'-C2'-C1' 96.985 -5.016 . 0.622 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.488 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 99.217 -3.483 . 0.684 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 C4'-C3'-C2' 99.776 -2.924 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C5'-C4'-O4' 115.156 4.255 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.708 0 C5'-C4'-C3' 110.027 -3.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.524 0 C4'-C3'-C2' 100.793 -1.907 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.419 0 C5'-C4'-C3' 110.286 -3.476 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 0 C5'-C4'-C3' 109.604 -3.931 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 98.969 -3.731 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.02 1 C4'-C3'-C2' 98.61 -4.09 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 C4'-C3'-C2' 100.073 -2.627 . 0.931 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.142 0 C5'-C4'-O4' 114.761 3.972 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 0 C4'-C3'-C2' 98.745 -3.955 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 C4'-C3'-C2' 98.805 -3.895 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 1 C5'-C4'-O4' 114.831 4.022 . 0.478 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C5'-C4'-C3' 110.596 -3.269 . 0.57 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-O4' 112.451 2.322 . 0.512 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.474 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 C3'-C2'-C1' 98.42 -3.423 . 0.607 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.226 4 C5'-C4'-O4' 116.995 5.568 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 P-O3'-C3' 123.91 3.508 . 0.721 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.897 0 C4'-C3'-C2' 99.686 -3.014 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.088 0 C4'-C3'-C2' 99.094 -3.606 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.832 0 C4'-C3'-C2' 99.015 -3.685 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 0 C5'-C4'-O4' 112.679 2.485 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.256 -3.444 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.477 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.073 0 C3'-C2'-C1' 102.852 1.502 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 O5'-C5'-C4' 112.725 1.804 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.88 2.628 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 P-O3'-C3' 123.036 2.78 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C4'-C3'-C2' 96.884 -5.816 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.407 1 C5'-C4'-O4' 115.335 4.382 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 1 C4'-C3'-C2' 98.138 -4.562 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.221 1 O5'-C5'-C4' 115.89 4.064 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 C4'-C3'-C2' 100.039 -2.661 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.017 0 C4'-C3'-C2' 100.861 -1.839 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.795 0 P-O3'-C3' 123.073 2.811 . 0.174 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C4'-C3'-C2' 99.325 -3.375 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 98.916 -3.784 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 1 C4'-C3'-C2' 98.419 -4.281 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 C4'-C3'-C2' 98.646 -4.054 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.855 0 C4'-C3'-C2' 98.952 -3.748 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.678 0 C4'-C3'-C2' 98.774 -3.926 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 C4'-C3'-C2' 99.418 -3.282 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 0 O4'-C4'-C3' 109.978 3.198 . 0.552 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.597 0 O5'-C5'-C4' 115.057 3.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 1 C4'-C3'-C2' 98.551 -4.149 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 0 C4'-C3'-C2' 98.831 -3.869 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C4'-C3'-C2' 100.219 -2.481 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.848 0.356 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -109.17 121.98 46.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.206 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.72 139.01 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.587 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.66 128.28 33.83 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.487 171.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 23.89 13.73 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.78 153.98 27.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 170.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.42 114.7 2.12 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.218 -171.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 69.7 15.02 8.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.732 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.1 t -83.92 -78.95 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 120.669 0.271 . . . . 0.0 111.047 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.18 14.1 79.21 Favored Glycine 0 CA--C 1.554 2.504 0 CA-C-N 116.386 -0.37 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.2 tttp -69.5 143.1 53.57 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 117.539 0.67 . . . . 0.0 110.609 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.12 136.12 54.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.894 0.378 . . . . 0.0 111.143 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.25 156.06 40.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.057 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.57 -32.28 58.05 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.023 -178.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.406 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.7 mmtp -123.53 146.32 48.19 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 120.887 0.375 . . . . 0.0 110.986 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -64.22 -28.5 69.78 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -63.84 -32.55 74.1 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.451 -0.156 . . . . 0.0 110.957 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.95 -38.22 66.84 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 120.594 0.235 . . . . 0.0 110.711 172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.885 0.374 . . . . 0.0 110.504 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.13 -41.08 87.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.73 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 148' ' ' LEU . 10.0 t -60.96 -41.15 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 80.1 t60 -67.72 -44.54 77.41 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.257 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.52 -31.87 73.16 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.296 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -28.8 52.89 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.827 -0.169 . . . . 0.0 110.925 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -68.17 -46.89 69.5 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.452 -0.155 . . . . 0.0 111.18 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.22 -36.34 83.76 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.795 0.331 . . . . 0.0 111.031 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.4 p -81.84 -18.47 43.8 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.76 32.33 17.29 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.326 0.65 . . . . 0.0 111.861 -175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.58 155.43 46.53 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.685 0.279 . . . . 0.0 110.318 169.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.0 mt -94.52 131.49 30.83 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.074 -170.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 135' ' ' TYR . 9.2 Cg_endo -78.26 -35.2 1.32 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.575 2.184 . . . . 0.0 113.202 -171.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 77.3 m-85 -101.54 92.38 4.87 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.491 -169.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -96.41 140.28 31.3 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.5 t -73.89 118.96 73.61 Favored Pre-proline 0 CA--C 1.563 1.447 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -89.95 5.16 4.63 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.801 2.334 . . . . 0.0 113.231 -172.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.92 147.52 53.24 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.975 0.417 . . . . 0.0 111.095 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.29 120.72 13.28 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.67 -2.19 72.89 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.638 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.6 t -106.04 152.49 23.3 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.44 12.21 1.52 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.36 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 144.72 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 120.831 0.348 . . . . 0.0 110.729 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.4 153.92 51.2 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.289 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -134.07 157.17 46.83 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.128 -169.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 p -83.69 -26.12 30.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.408 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -130.43 155.09 81.56 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.281 0.233 . . . . 0.0 110.647 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.0 Cg_endo -67.57 -34.0 26.97 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.36 2.04 . . . . 0.0 112.144 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 p -62.46 -35.59 79.78 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.097 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -72.92 -37.94 67.04 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.912 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.93 -45.42 81.92 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.81 0.338 . . . . 0.0 110.778 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -59.63 -39.18 83.46 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.008 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -70.44 -38.06 74.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.814 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -60.93 -33.82 73.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.668 0.271 . . . . 0.0 111.065 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.45 -31.1 67.46 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 120.802 0.334 . . . . 0.0 110.696 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -59.52 -25.74 64.74 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.264 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.43 HG22 " H2'" ' B' ' 5' ' ' ' C' . 38.7 t -61.9 -42.78 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.592 0.234 . . . . 0.0 110.671 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.03 -27.36 54.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.269 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.35 64.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.707 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.5 174.7 50.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.529 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.14 94.73 44.91 Favored Pre-proline 0 C--O 1.236 0.359 0 C-N-CA 122.477 0.311 . . . . 0.0 110.231 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.14 140.41 13.99 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 122.205 1.937 . . . . 0.0 112.317 -174.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -70.98 142.01 51.01 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -142.77 12.5 1.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.83 -23.33 66.02 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.62 144.84 25.5 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.792 0.33 . . . . 0.0 110.613 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.71 -27.45 68.34 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.485 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.3 m -95.51 19.71 10.59 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.142 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.66 134.73 54.84 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.224 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.0 m -134.45 15.73 3.72 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.467 -172.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.19 141.86 57.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.642 0.258 . . . . 0.0 110.915 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.31 122.32 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 120.847 0.356 . . . . 0.0 110.409 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.39 133.42 11.82 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.115 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.06 -17.01 64.42 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 122.865 -0.197 . . . . 0.0 111.197 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.24 163.02 39.82 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.842 0.353 . . . . 0.0 110.491 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.424 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.4 t-105 -57.59 -41.13 80.59 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.326 -176.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.4 p -57.09 -46.56 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.419 0.152 . . . . 0.0 111.198 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.95 -34.51 77.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.262 -175.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -70.14 -48.06 59.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.614 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 177' ' ' TRP . 62.0 mt -59.75 -41.82 91.85 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.85 0.357 . . . . 0.0 110.815 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.88 -43.63 95.44 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.91 -41.7 98.22 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.77 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.86 -45.03 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.052 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.82 78.41 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.075 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.35 -28.64 19.68 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.77 -20.87 12.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -169.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -131.31 7.83 4.61 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -139.73 11.85 2.48 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 120.704 0.288 . . . . 0.0 110.997 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 178.607 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C4'-C3'-C2' 99.394 -3.306 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.183 -3.517 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.952 -3.748 . 0.902 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.797 -2.903 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.43 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 O5'-C5'-C4' 115.641 3.887 . 0.314 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.796 1 O4'-C4'-C3' 111.231 4.093 . 0.653 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 123.845 3.454 . 0.584 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C3'-C2'-C1' 97.765 -4.15 . 0.68 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 98.983 -3.717 . 0.713 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 0 C4'-C3'-C2' 99.533 -3.167 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 C5'-C4'-O4' 114.236 3.597 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.026 0 C5'-C4'-O4' 113.606 3.147 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.492 0 O5'-C5'-C4' 113.575 2.411 . 0.176 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.513 1 C5'-C4'-C3' 108.703 -4.532 . 0.283 4s . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 1 C5'-C4'-O4' 116.086 4.919 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 1 C4'-C3'-C2' 98.543 -4.157 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.111 1 C4'-C3'-C2' 98.193 -4.507 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.422 0 C4'-C3'-C2' 99.064 -3.636 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 0 C4'-C3'-C2' 98.996 -3.704 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 C4'-C3'-C2' 98.356 -4.344 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 C4'-C3'-C2' 98.345 -4.355 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 100.278 -2.422 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 1 C5'-C4'-C3' 109.191 -4.206 . 0.754 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-O4' 113.977 3.412 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.903 1 C3'-C2'-C1' 95.732 -6.409 . 0.506 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 C4'-C3'-C2' 99.204 -3.496 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 P-O3'-C3' 124.449 3.957 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.797 0 C4'-C3'-C2' 99.732 -2.968 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 C4'-C3'-C2' 99.081 -3.619 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 0 C4'-C3'-C2' 98.967 -3.733 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.329 0 C5'-C4'-O4' 112.762 2.544 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.199 -3.501 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.475 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C3'-C2'-C1' 102.839 1.488 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.539 0 O5'-C5'-C4' 112.65 1.75 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.475 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 O5'-C5'-C4' 113.944 2.674 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 P-O3'-C3' 123.054 2.795 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.003 1 C4'-C3'-C2' 96.918 -5.782 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.485 1 C5'-C4'-O4' 115.322 4.373 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 C4'-C3'-C2' 98.122 -4.578 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.982 0 O5'-C5'-C4' 115.684 3.917 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.015 0 C4'-C3'-C2' 99.323 -3.377 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 100.812 -1.888 . 0.925 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 P-O3'-C3' 123.066 2.805 . 0.177 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.548 -3.152 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C4'-C3'-C2' 99.049 -3.651 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 98.738 -3.962 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 1 C4'-C3'-C2' 98.67 -4.03 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 98.715 -3.985 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.749 1 C4'-C3'-C2' 98.551 -4.149 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 C4'-C3'-C2' 99.369 -3.331 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 O4'-C4'-C3' 109.597 2.926 . 0.567 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.716 0 O5'-C5'-C4' 114.435 3.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.825 -3.875 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.963 -3.737 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.862 -2.838 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 CA-C-O 120.755 0.312 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -109.16 124.09 50.27 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.35 139.09 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.612 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.91 128.95 34.74 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.507 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -111.1 24.33 13.02 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.36 154.74 23.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.23 114.73 2.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -171.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.65 15.18 8.16 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.678 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.6 t -84.79 -78.94 0.23 Allowed 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 120.69 0.281 . . . . 0.0 111.005 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.2 78.91 Favored Glycine 0 CA--C 1.555 2.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 113.508 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.33 143.58 51.94 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.447 0.623 . . . . 0.0 110.656 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.58 137.32 54.93 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.803 0.335 . . . . 0.0 111.216 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -126.18 156.85 39.52 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.284 -174.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.3 -39.56 92.67 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.06 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -134.67 148.64 50.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -62.9 -28.65 70.2 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.483 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -63.95 -33.72 76.35 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 122.428 -0.17 . . . . 0.0 110.947 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -73.0 -36.42 67.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.66 0.266 . . . . 0.0 110.814 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.11 -47.1 86.13 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -58.5 -40.69 83.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.682 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 148' ' ' LEU . 10.8 t -59.39 -41.22 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.4 t60 -70.09 -45.01 67.87 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.181 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -66.3 -31.74 72.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.278 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.78 54.81 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.909 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.29 -46.47 70.23 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 122.474 -0.141 . . . . 0.0 111.262 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.39 83.94 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.092 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.2 p -82.91 -19.53 37.13 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.992 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 30.37 18.3 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 123.292 0.637 . . . . 0.0 111.999 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -128.92 156.25 44.02 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 169.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -95.39 132.13 28.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.171 -170.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.83 -36.1 0.86 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.559 2.173 . . . . 0.0 113.306 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.37 97.11 7.9 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.528 -169.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.58 138.43 40.94 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.3 t -73.87 121.29 84.81 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.413 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.98 4.88 3.72 Favored 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 122.847 2.365 . . . . 0.0 113.27 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -64.96 147.12 54.01 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.928 0.394 . . . . 0.0 111.121 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.39 120.67 13.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 91.88 -0.84 73.67 Favored Glycine 0 CA--C 1.545 1.955 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.639 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.6 t -110.53 155.14 22.71 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.85 0.357 . . . . 0.0 110.654 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -148.4 14.47 0.98 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 142.89 58.24 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 120.845 0.355 . . . . 0.0 110.682 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -134.59 149.71 50.63 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.11 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -133.06 158.5 42.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.396 -169.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.9 p -84.45 -27.17 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.421 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.657 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.37 155.88 79.37 Favored Pre-proline 0 N--CA 1.482 1.138 0 C-N-CA 122.289 0.236 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 17.9 Cg_endo -66.57 -36.14 26.89 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.284 1.989 . . . . 0.0 112.123 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.4 m -62.34 -34.39 76.56 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.714 0.292 . . . . 0.0 111.069 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -73.09 -36.86 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.959 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.73 -44.99 76.31 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.656 0.265 . . . . 0.0 110.66 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -57.12 -36.51 70.75 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 120.606 0.241 . . . . 0.0 110.812 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.32 -43.45 77.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.861 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -58.98 -34.02 71.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.321 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.57 -31.3 67.88 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 122.347 -0.221 . . . . 0.0 110.949 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -59.67 -26.63 65.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.099 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.529 HG22 " H2'" ' B' ' 5' ' ' ' C' . 14.6 t -62.77 -40.75 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 120.651 0.262 . . . . 0.0 110.833 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -77.21 -35.03 55.96 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.234 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.02 64.72 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 120.609 0.243 . . . . 0.0 111.102 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.26 174.86 47.65 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 112.661 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -124.28 94.73 44.66 Favored Pre-proline 0 C--O 1.235 0.311 0 C-N-CA 122.605 0.362 . . . . 0.0 110.353 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.31 141.36 16.03 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.307 2.004 . . . . 0.0 112.385 -174.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.46 140.61 48.37 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 12.16 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.421 174.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.91 -22.27 65.96 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.167 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.59 147.04 26.95 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.88 -29.35 69.77 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -96.39 19.12 12.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.607 0.242 . . . . 0.0 111.217 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.72 131.53 56.15 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 69.0 p -134.04 14.67 3.9 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -172.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.99 142.43 51.18 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.817 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 120.24 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.887 0.375 . . . . 0.0 110.295 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.63 133.13 11.6 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.047 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -15.5 61.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 122.755 -0.262 . . . . 0.0 111.374 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.96 163.23 39.7 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.755 0.312 . . . . 0.0 110.341 176.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 30.7 t-105 -57.21 -40.35 77.3 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.5 p -57.94 -47.97 81.32 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.32 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.21 -34.59 76.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.223 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.86 -47.99 60.55 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.563 0.221 . . . . 0.0 110.738 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.447 HD22 " H4'" ' B' ' 9' ' ' ' C' . 44.0 mt -60.04 -41.34 92.06 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.987 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -64.03 -42.87 96.96 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.89 -42.1 98.68 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.683 0.278 . . . . 0.0 110.763 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.97 -45.01 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.061 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.68 -33.46 75.68 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.004 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.27 -26.77 20.99 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.02 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 4.4 t -113.16 -21.68 10.9 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -131.22 5.52 4.46 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -139.2 16.48 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 120.691 0.281 . . . . 0.0 111.12 176.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.6 t70 . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 121.005 0.431 . . . . 0.0 110.763 177.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.22 0 C4'-C3'-C2' 99.192 -3.508 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.4 -3.3 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 98.779 -3.921 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.722 -2.978 . 0.947 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.529 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.536 2.001 0 O5'-C5'-C4' 115.644 3.889 . 0.305 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.68 0 O4'-C4'-C3' 110.851 3.822 . 0.654 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 P-O3'-C3' 124.214 3.762 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 C3'-C2'-C1' 97.517 -4.426 . 0.684 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.447 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 98.902 -3.798 . 0.692 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.142 0 C4'-C3'-C2' 99.371 -3.329 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 99.295 -3.405 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.86 0 C5'-C4'-C3' 110.953 -3.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 O5'-C5'-C4' 113.442 2.315 . 0.157 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 114.39 2.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 C5'-C4'-C3' 107.356 -5.429 . 0.058 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 C4'-C3'-C2' 99.356 -3.344 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 1 C4'-C3'-C2' 98.218 -4.482 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.611 0 C4'-C3'-C2' 99.254 -3.446 . 0.937 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.201 1 C4'-C3'-C2' 98.563 -4.137 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.114 -4.586 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 98.753 -3.947 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 100.134 -2.566 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-C3' 109.731 -3.846 . 0.64 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C5'-C4'-O4' 114.129 3.521 . 0.322 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.231 1 C3'-C2'-C1' 97.442 -4.509 . 0.412 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.658 2 C5'-C4'-O4' 115.758 4.684 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 P-O3'-C3' 124.042 3.618 . 0.734 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.657 0 C4'-C3'-C2' 99.891 -2.809 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 C4'-C3'-C2' 99.147 -3.553 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.803 0 C4'-C3'-C2' 98.971 -3.729 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.209 0 C5'-C4'-O4' 112.781 2.558 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C4'-C3'-C2' 99.187 -3.513 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.128 0 C3'-C2'-C1' 102.886 1.54 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 O5'-C5'-C4' 112.816 1.869 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 O5'-C5'-C4' 113.959 2.685 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 P-O3'-C3' 123.075 2.813 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.055 1 C4'-C3'-C2' 96.905 -5.795 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 1 C5'-C4'-O4' 115.339 4.385 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 C4'-C3'-C2' 98.158 -4.542 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.748 0 C4'-C3'-C2' 99.135 -3.565 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 99.706 -2.994 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 100.86 -1.84 . 0.942 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.867 0 P-O3'-C3' 123.158 2.881 . 0.177 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.96 0 C4'-C3'-C2' 99.568 -3.132 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 98.826 -3.874 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 C4'-C3'-C2' 98.677 -4.023 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 98.769 -3.931 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 98.888 -3.812 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 1 C4'-C3'-C2' 98.43 -4.27 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 0 C4'-C3'-C2' 99.155 -3.545 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.358 0 O4'-C4'-C3' 109.496 2.855 . 0.672 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 0 O5'-C5'-C4' 115.176 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 1 C4'-C3'-C2' 98.686 -4.014 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.997 0 C4'-C3'-C2' 98.986 -3.714 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.951 -2.749 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 120.841 0.353 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.04 123.04 48.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.309 -176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.4 139.11 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.657 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.404 ' HA ' HD11 ' A' ' 122' ' ' LEU . 46.0 t -77.59 129.45 35.64 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.447 171.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -111.49 24.52 12.69 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.869 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.11 25.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.0 114.75 2.06 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.884 0.374 . . . . 0.0 111.222 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.1 t30 69.75 15.16 8.06 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.69 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.28 -78.87 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.679 0.276 . . . . 0.0 110.967 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.53 14.44 77.53 Favored Glycine 0 CA--C 1.553 2.459 0 CA-C-N 116.368 -0.378 . . . . 0.0 113.375 174.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.5 tttp -70.27 143.04 52.22 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 117.528 0.664 . . . . 0.0 110.608 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.27 137.86 54.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -173.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -126.09 151.1 47.66 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.061 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 117' ' ' LYS . 26.2 ttpt -63.84 -34.43 77.91 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.468 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 30.1 mmtm -137.0 147.44 46.26 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.861 0.362 . . . . 0.0 111.312 -174.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -63.92 -28.84 70.1 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.637 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -63.94 -34.81 78.81 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 122.406 -0.183 . . . . 0.0 110.994 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.16 -36.11 66.56 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.629 0.252 . . . . 0.0 110.707 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 107' ' ' CYS . 32.7 tp -60.11 -47.17 87.01 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 120.676 0.274 . . . . 0.0 110.457 175.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.59 -43.79 84.91 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.656 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.593 HG21 HD23 ' A' ' 148' ' ' LEU . 12.4 t -58.69 -41.09 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.947 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.6 t60 -68.41 -45.07 73.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.551 0.215 . . . . 0.0 111.145 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.06 -31.81 73.21 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.471 0.176 . . . . 0.0 111.349 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.82 53.84 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.828 175.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -67.91 -47.0 69.99 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.393 -0.192 . . . . 0.0 111.327 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.16 -36.43 84.04 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.805 0.336 . . . . 0.0 111.065 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.7 p -81.79 -18.42 44.16 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.99 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.81 32.35 17.45 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.336 0.654 . . . . 0.0 111.843 -175.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.25 155.79 45.71 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.7 mt -95.61 132.58 27.16 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 120.656 0.265 . . . . 0.0 111.139 -169.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -79.09 -36.78 0.65 Allowed 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.56 2.174 . . . . 0.0 113.265 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 84.8 m-85 -99.48 93.64 5.99 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.482 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -100.88 142.52 32.23 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.91 0.386 . . . . 0.0 111.031 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.89 122.99 88.9 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.513 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.68 4.22 3.49 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 122.811 2.341 . . . . 0.0 113.439 -171.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -70.43 150.89 45.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.997 0.427 . . . . 0.0 111.014 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.35 134.61 52.94 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 80.37 2.62 89.52 Favored Glycine 0 CA--C 1.55 2.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.733 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -118.93 152.17 36.81 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.834 0.35 . . . . 0.0 110.704 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.24 15.9 0.82 Allowed 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.276 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -65.02 148.19 52.1 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.705 0.288 . . . . 0.0 110.646 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -134.5 151.89 51.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.05 160.12 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.09 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.4 p -86.2 -18.35 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 124' ' ' VAL . 21.1 mt -140.47 153.04 68.0 Favored Pre-proline 0 N--CA 1.472 0.663 0 CA-C-O 120.764 0.316 . . . . 0.0 111.098 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 27.6 Cg_endo -66.98 -33.79 31.34 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.716 2.277 . . . . 0.0 112.409 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.0 p -63.8 -37.45 87.42 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -72.44 -39.13 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.987 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.57 -45.73 91.56 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.16 -38.37 79.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.944 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.26 -40.61 81.86 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.856 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -61.0 -33.89 73.94 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -58.41 -31.08 67.38 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 110.695 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.35 -25.74 64.47 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.084 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.493 HG22 " H2'" ' B' ' 5' ' ' ' C' . 46.2 t -61.78 -42.79 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-O 120.609 0.242 . . . . 0.0 110.47 175.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.05 -30.73 55.77 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.324 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -28.92 64.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.48 169.92 37.44 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.295 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.07 94.73 45.05 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.87 144.93 13.95 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.45 2.1 . . . . 0.0 112.634 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 140.7 49.96 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.111 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -142.04 12.3 2.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.538 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -68.27 -23.0 64.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.15 145.3 26.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.802 0.334 . . . . 0.0 110.722 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -27.13 67.55 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.53 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.6 m -97.25 20.43 11.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.311 0.244 . . . . 0.0 111.128 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.5 t -116.53 134.48 54.8 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.223 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.2 m -133.7 16.32 3.96 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.504 -172.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.72 140.3 57.58 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.666 0.269 . . . . 0.0 110.83 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.31 123.62 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.424 170.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.7 140.35 15.91 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 121.276 -0.487 . . . . 0.0 112.113 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -67.63 -19.96 65.28 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 122.873 -0.193 . . . . 0.0 111.078 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.19 162.61 39.65 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.644 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.417 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.8 t-105 -57.15 -40.5 77.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.387 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.9 p -57.6 -46.02 84.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.079 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.75 -36.04 81.77 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.258 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -68.84 -48.04 64.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.64 0.257 . . . . 0.0 110.686 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 177' ' ' TRP . 34.9 mt -61.09 -39.64 90.71 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -63.99 -43.14 96.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.98 -42.79 99.53 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.795 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -62.83 -45.06 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.153 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.71 72.94 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.907 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -89.32 -31.02 18.01 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.057 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 79.5 m -110.4 -19.85 12.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -169.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -132.57 10.07 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -144.3 173.03 12.12 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.826 0.346 . . . . 0.0 110.685 176.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.851 179.651 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.394 0 C4'-C3'-C2' 99.306 -3.394 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 99.282 -3.418 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C4'-C3'-C2' 99.33 -3.37 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C3'-C2'-C1' 103.822 2.58 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.493 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.502 -2.593 0 O3'-P-O5' 108.88 2.568 . 0.279 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 0 O4'-C4'-C3' 110.593 3.638 . 0.582 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 P-O3'-C3' 123.989 3.574 . 0.571 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 1 C3'-C2'-C1' 97.638 -4.291 . 0.651 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.41 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C4'-C3'-C2' 99.141 -3.559 . 0.698 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.911 0 C4'-C3'-C2' 99.94 -2.76 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 1 C5'-C4'-O4' 115.145 4.247 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.712 0 C5'-C4'-C3' 110.055 -3.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.519 0 C3'-C2'-C1' 99.722 -1.975 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.325 0 C5'-C4'-C3' 110.604 -3.264 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 0 C5'-C4'-O4' 113.986 3.419 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C4'-C3'-C2' 98.848 -3.852 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 1 C4'-C3'-C2' 98.288 -4.412 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C4'-C3'-C2' 99.065 -3.635 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.946 0 C4'-C3'-C2' 98.938 -3.762 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 C4'-C3'-C2' 98.498 -4.202 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 1 C4'-C3'-C2' 98.263 -4.437 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C5'-C4'-O4' 114.408 3.72 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C5'-C4'-C3' 110.468 -3.355 . 0.58 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C5'-C4'-O4' 112.679 2.485 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.468 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 2.04 0 C3'-C2'-C1' 98.455 -3.383 . 0.615 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.331 3 C5'-C4'-O4' 117.011 5.579 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.063 0 P-O3'-C3' 123.959 3.549 . 0.713 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.712 0 C4'-C3'-C2' 100.011 -2.689 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C4'-C3'-C2' 99.232 -3.468 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.026 -3.674 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 C5'-C4'-O4' 112.796 2.569 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C4'-C3'-C2' 99.357 -3.343 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.477 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.004 0 C3'-C2'-C1' 102.967 1.63 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.529 0 O5'-C5'-C4' 112.756 1.826 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O5'-C5'-C4' 113.927 2.662 . 0.724 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 P-O3'-C3' 123.066 2.805 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 1 C4'-C3'-C2' 96.869 -5.831 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C5'-C4'-O4' 115.357 4.398 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 1 C4'-C3'-C2' 98.228 -4.472 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.687 0 C4'-C3'-C2' 98.921 -3.779 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 C4'-C3'-C2' 99.569 -3.131 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.941 0 C4'-C3'-C2' 100.843 -1.857 . 0.947 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.209 0 P-O3'-C3' 123.219 2.932 . 0.157 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.002 0 C4'-C3'-C2' 99.616 -3.084 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 98.92 -3.78 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 1 C4'-C3'-C2' 98.515 -4.185 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 1 C4'-C3'-C2' 98.681 -4.019 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.919 0 C4'-C3'-C2' 98.767 -3.933 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.739 1 C4'-C3'-C2' 98.666 -4.034 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.966 0 C4'-C3'-C2' 99.524 -3.176 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 O4'-C4'-C3' 109.552 2.894 . 0.638 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.666 0 C5'-C4'-C3' 110.417 -3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C4'-C3'-C2' 98.928 -3.772 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 0 C4'-C3'-C2' 99.088 -3.612 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C4'-C3'-C2' 100.035 -2.665 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 120.863 0.363 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -109.19 122.78 48.05 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.312 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.6 139.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.634 -169.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.4 127.64 32.9 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.482 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.71 23.93 13.75 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.2 t80 -61.35 153.87 25.55 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 170.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.95 114.68 2.02 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 69.71 15.09 8.1 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.727 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.82 -78.43 0.23 Allowed 'General case' 0 CA--C 1.563 1.467 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.97 13.21 79.23 Favored Glycine 0 CA--C 1.553 2.464 0 CA-C-N 116.35 -0.387 . . . . 0.0 113.433 174.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.48 143.27 51.78 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.462 0.631 . . . . 0.0 110.555 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.08 137.24 54.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.977 0.418 . . . . 0.0 111.104 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -126.1 151.34 47.35 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.066 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.92 -34.03 76.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.091 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 29.5 mmtm -137.16 148.72 46.79 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.38 -172.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -65.33 -28.72 69.5 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.523 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.38 -38.74 92.08 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.506 0.194 . . . . 0.0 110.797 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -72.97 -34.1 66.27 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.667 0.27 . . . . 0.0 110.639 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.67 -47.08 85.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -61.86 -37.33 84.1 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.722 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 148' ' ' LEU . 5.3 t -60.52 -41.2 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 175.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 72.9 t60 -68.31 -44.93 74.3 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.644 0.259 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -64.47 -31.74 73.08 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.362 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -28.81 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 116.804 -0.18 . . . . 0.0 110.799 175.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.1 t -67.77 -47.14 70.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.264 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 94.6 m-70 -64.06 -36.37 83.78 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.002 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.7 p -81.66 -18.0 46.08 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.12 32.72 16.33 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.306 0.642 . . . . 0.0 111.942 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -130.6 156.15 45.35 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.7 mt -96.79 132.01 26.89 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.147 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.8 Cg_endo -79.91 -38.67 0.34 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.501 2.134 . . . . 0.0 113.304 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.6 m-85 -93.66 93.41 8.02 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.491 -170.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.01 143.12 28.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.776 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 39.6 t -74.03 121.12 84.45 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.349 175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -88.62 4.25 5.57 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.27 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -63.95 143.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.988 0.423 . . . . 0.0 111.044 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.68 113.94 5.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -0.67 55.33 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.547 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.4 t -106.87 157.63 17.62 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.799 0.333 . . . . 0.0 110.655 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 11.52 0.91 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.445 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.05 146.73 54.02 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.754 0.311 . . . . 0.0 110.665 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 36.9 mtp85 -135.04 150.84 50.36 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.491 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -134.02 159.18 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -169.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -85.61 -19.54 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.542 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 124' ' ' VAL . 19.2 mt -143.67 153.77 58.59 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.2 Cg_endo -64.68 -24.97 61.8 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.4 p -66.53 -40.98 89.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.536 0.335 . . . . 0.0 111.217 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.03 -35.27 66.72 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.082 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.91 -44.2 90.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.653 0.263 . . . . 0.0 110.55 171.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -54.89 -44.67 74.33 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.892 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -40.52 91.5 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.752 176.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.15 -39.21 91.85 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.501 0.191 . . . . 0.0 111.277 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -31.51 68.3 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.579 0.228 . . . . 0.0 110.823 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -59.73 -25.84 65.16 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.152 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.464 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.7 t -61.77 -42.58 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.736 175.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -76.94 -30.17 55.94 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.283 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.06 65.04 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.71 174.93 50.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.554 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.18 94.84 44.69 Favored Pre-proline 0 C--O 1.237 0.438 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.83 142.42 15.83 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.356 2.037 . . . . 0.0 112.338 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.7 t -73.65 142.48 46.48 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -142.74 13.23 1.9 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.569 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.68 -22.65 65.28 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.6 144.83 25.52 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.873 0.368 . . . . 0.0 110.686 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.75 -26.46 67.74 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.467 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.0 m -97.65 20.31 12.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.259 0.223 . . . . 0.0 111.132 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 13.0 t -115.14 134.51 55.1 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.26 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.7 m -134.05 16.51 3.83 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.437 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.33 141.7 58.16 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.648 0.261 . . . . 0.0 110.883 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.35 122.37 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 120.884 0.373 . . . . 0.0 110.266 170.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.86 131.45 10.4 Favored Glycine 0 N--CA 1.471 0.999 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.054 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -64.11 -18.04 64.03 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 120.617 0.246 . . . . 0.0 111.238 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 161.43 42.1 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.82 0.343 . . . . 0.0 110.337 176.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.442 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.2 -39.87 80.11 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.345 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.1 p -56.94 -47.4 80.75 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.497 0.189 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.94 -34.57 76.35 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.273 -175.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.05 -48.04 59.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.59 0.234 . . . . 0.0 110.56 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.451 HD22 " H4'" ' B' ' 9' ' ' ' C' . 53.1 mt -60.19 -41.47 93.01 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -69.93 -36.86 75.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.546 0.213 . . . . 0.0 110.714 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.74 -44.99 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.04 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.21 -31.7 73.0 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.13 -176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -89.17 -36.6 15.59 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.716 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.1 t -101.24 -22.65 14.59 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -169.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -131.39 36.6 3.77 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.71 67.39 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 CA--C 1.545 0.762 0 CA-C-O 121.047 0.451 . . . . 0.0 110.755 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 99.302 -3.398 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C4'-C3'-C2' 99.338 -3.362 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 1 C4'-C3'-C2' 98.683 -4.017 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.172 -3.528 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.464 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.015 0 O5'-C5'-C4' 114.211 2.865 . 0.332 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 0 C3'-C2'-C1' 105.05 3.945 . 0.693 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O5'-C5'-C4' 114.451 3.037 . 0.549 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 1 C3'-C2'-C1' 97.21 -4.767 . 0.643 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.451 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.289 -3.411 . 0.705 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.923 0 C4'-C3'-C2' 99.646 -3.054 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 C5'-C4'-O4' 115.211 4.294 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.69 0 C5'-C4'-C3' 110.065 -3.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.53 0 C4'-C3'-C2' 100.867 -1.833 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C5'-C4'-C3' 110.386 -3.409 . 0.0 OUTLIER '7D dist 4s' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.928 0 C5'-C4'-C3' 109.728 -3.848 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 0 C4'-C3'-C2' 98.985 -3.715 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.992 1 C4'-C3'-C2' 98.515 -4.185 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 0 C4'-C3'-C2' 99.843 -2.857 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.207 0 C5'-C4'-O4' 114.368 3.691 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 C4'-C3'-C2' 98.833 -3.867 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 1 C4'-C3'-C2' 98.596 -4.104 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-O4' 114.614 3.867 . 0.449 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 C5'-C4'-C3' 110.447 -3.369 . 0.557 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-O4' 112.837 2.598 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.428 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 1.974 0 C3'-C2'-C1' 98.437 -3.404 . 0.605 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.381 3 C5'-C4'-O4' 116.879 5.485 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 P-O3'-C3' 123.753 3.378 . 0.721 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.747 0 C4'-C3'-C2' 99.865 -2.835 . 0.484 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 C4'-C3'-C2' 99.139 -3.561 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.894 0 C4'-C3'-C2' 98.926 -3.774 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C5'-C4'-O4' 112.822 2.587 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 99.315 -3.385 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.497 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.164 0 C4'-C3'-O3' 114.546 1.518 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.639 0 C4'-C3'-C2' 100.712 -1.988 . 0.067 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.497 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.708 2.506 . 0.732 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 P-O3'-C3' 123.235 2.946 . 0.364 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.019 1 C4'-C3'-C2' 96.967 -5.733 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.395 1 C5'-C4'-O4' 115.435 4.454 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 1 C4'-C3'-C2' 98.284 -4.416 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.677 0 C4'-C3'-C2' 99.513 -3.187 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 C4'-C3'-C2' 99.438 -3.262 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.972 0 C4'-C3'-C2' 100.737 -1.963 . 0.934 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.124 0 O5'-C5'-C4' 114.288 2.92 . 0.157 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 C4'-C3'-C2' 99.722 -2.978 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.016 -3.684 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 C4'-C3'-C2' 98.571 -4.129 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 C4'-C3'-C2' 98.499 -4.201 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 98.867 -3.833 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.75 1 C4'-C3'-C2' 98.598 -4.102 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.846 0 C4'-C3'-C2' 99.244 -3.456 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 O4'-C4'-C3' 109.807 3.076 . 0.576 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.566 0 C5'-C4'-C3' 110.467 -3.355 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 98.851 -3.849 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 98.894 -3.806 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 99.805 -2.895 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.723 0 CA-C-O 120.774 0.321 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -109.11 122.14 46.64 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.263 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.96 139.08 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.872 -168.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.412 ' HA ' HD11 ' A' ' 122' ' ' LEU . 53.7 t -78.48 130.12 35.67 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.493 170.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -112.34 24.25 12.76 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.37 152.95 28.11 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.92 114.76 2.05 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 111.319 -171.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.83 15.07 7.98 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.726 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.75 -78.82 0.24 Allowed 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 120.705 0.288 . . . . 0.0 111.039 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.11 78.69 Favored Glycine 0 CA--C 1.552 2.405 0 CA-C-N 116.409 -0.36 . . . . 0.0 113.448 173.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.9 tttp -70.89 143.66 50.92 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.471 0.635 . . . . 0.0 110.693 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.47 136.63 54.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.857 0.361 . . . . 0.0 111.14 -173.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -126.19 155.67 41.4 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.146 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.14 -31.92 58.84 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -178.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.4 mmtp -124.04 146.57 48.47 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 120.778 0.323 . . . . 0.0 111.07 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -65.37 -28.63 69.41 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.531 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.99 -32.42 73.95 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 122.327 -0.233 . . . . 0.0 110.902 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -71.89 -37.84 70.08 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.523 0.202 . . . . 0.0 110.634 171.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 107' ' ' CYS . 33.1 tp -61.01 -47.1 88.0 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 176.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.32 -43.57 83.43 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.662 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG21 HD13 ' A' ' 148' ' ' LEU . 2.7 t -59.4 -41.29 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.003 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 81.1 t60 -68.79 -44.61 73.22 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.099 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.12 -36.42 81.7 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -54.95 -33.26 62.13 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 176.085 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -63.76 -34.95 79.03 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 122.454 -0.154 . . . . 0.0 111.409 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.78 -36.25 59.85 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 44.4 p -80.81 -20.84 41.61 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 53.25 30.84 10.62 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.392 0.677 . . . . 0.0 112.013 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -124.63 145.52 49.59 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 44.5 mt -91.98 130.83 36.97 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-O 120.822 0.344 . . . . 0.0 111.417 -168.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -77.2 -35.7 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.661 2.241 . . . . 0.0 113.149 -171.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -98.16 91.33 5.21 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.393 -170.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -94.81 141.57 28.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.86 120.16 79.85 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -92.74 5.87 3.21 Favored 'Trans proline' 0 CA--C 1.55 1.316 0 C-N-CA 122.811 2.341 . . . . 0.0 113.274 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -73.78 147.67 43.23 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.01 0.433 . . . . 0.0 111.066 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.21 126.85 29.06 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.48 79.41 Favored Glycine 0 CA--C 1.545 1.951 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.739 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -115.24 152.87 31.91 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -143.58 17.2 1.84 Allowed 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 146.89 53.32 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.821 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -137.09 149.89 47.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 120.826 0.346 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -134.05 157.8 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.114 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 p -83.86 -27.19 28.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.488 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 124' ' ' VAL . 3.3 mm? -132.19 156.94 79.5 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 122.369 0.267 . . . . 0.0 110.354 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 28.5 Cg_endo -66.94 -27.56 42.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.349 2.033 . . . . 0.0 112.287 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.5 p -61.89 -43.04 99.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.704 0.288 . . . . 0.0 110.988 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -39.44 83.93 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp -67.02 -47.17 72.25 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.707 0.289 . . . . 0.0 110.87 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -58.94 -37.29 76.37 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -72.45 -37.49 68.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.989 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -63.16 -33.97 76.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.301 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.57 -30.33 67.07 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.578 0.227 . . . . 0.0 110.777 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.39 -25.8 64.58 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.201 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.441 HG22 " H2'" ' B' ' 5' ' ' ' C' . 41.2 t -61.79 -42.48 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.732 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -76.87 -28.23 55.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.166 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.682 0.277 . . . . 0.0 110.837 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.53 173.43 48.19 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.512 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.11 94.64 45.11 Favored Pre-proline 0 C--O 1.236 0.381 0 C-N-CA 122.482 0.313 . . . . 0.0 110.237 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.92 140.0 12.45 Favored 'Trans proline' 0 N--CA 1.443 -1.455 0 C-N-CA 122.265 1.977 . . . . 0.0 112.226 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 t -70.87 141.71 51.22 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -142.97 12.44 1.83 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.421 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.01 -22.9 65.88 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -149.21 145.0 26.91 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 -28.11 69.48 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.383 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -93.41 13.99 19.92 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.429 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.71 158.02 15.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 120.676 0.274 . . . . 0.0 110.322 173.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.6 p -152.23 6.79 0.44 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.25 141.21 58.71 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.699 0.285 . . . . 0.0 110.984 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.26 122.17 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 169.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.06 134.13 12.37 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.092 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.83 -16.28 64.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 122.847 -0.208 . . . . 0.0 111.235 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 163.09 39.53 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 120.869 0.366 . . . . 0.0 110.503 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.43 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.1 t-105 -57.67 -41.5 81.69 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.285 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.7 p -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.449 0.166 . . . . 0.0 111.219 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.93 -36.0 80.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.286 -175.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -69.24 -47.98 63.18 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.56 0.219 . . . . 0.0 110.598 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.8 mt -59.72 -40.67 88.74 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.689 0.28 . . . . 0.0 110.988 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -66.01 -42.39 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.043 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -61.9 -42.06 98.63 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.705 0.288 . . . . 0.0 110.559 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 8.1 t -62.91 -45.03 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.048 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.63 84.01 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.069 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.26 -22.64 22.61 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.13 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -116.99 -21.59 8.85 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.75 6.66 4.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.32 15.57 2.59 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.63 0.252 . . . . 0.0 110.993 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 120.968 0.413 . . . . 0.0 110.77 177.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.976 0 C4'-C3'-C2' 99.849 -2.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.592 -3.108 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.122 -3.578 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.299 0 C3'-C2'-C1' 103.841 2.601 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.441 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.544 2.592 1 O5'-C5'-C4' 116.24 4.314 . 0.312 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.698 0 O4'-C4'-C3' 110.614 3.653 . 0.688 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C4'-C3'-C2' 99.655 -3.045 . 0.607 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 C3'-C2'-C1' 97.7 -4.223 . 0.669 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.415 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.36 -3.34 . 0.686 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 C4'-C3'-C2' 99.743 -2.957 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C5'-C4'-O4' 114.486 3.775 . 0.218 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 C5'-C4'-C3' 110.45 -3.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.511 0 O5'-C5'-C4' 113.041 2.03 . 0.158 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.369 0 C3'-C2'-C1' 103.916 2.685 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.881 1 C5'-C4'-C3' 108.235 -4.843 . 0.436 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.036 -3.664 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.966 1 C4'-C3'-C2' 98.263 -4.437 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.389 0 C4'-C3'-C2' 99.097 -3.603 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 98.739 -3.961 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 C4'-C3'-C2' 98.377 -4.323 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 98.733 -3.967 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 C4'-C3'-C2' 100.435 -2.265 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 1 C5'-C4'-C3' 109.006 -4.329 . 0.763 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C5'-C4'-O4' 114.149 3.535 . 0.407 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.981 1 C3'-C2'-C1' 95.909 -6.212 . 0.487 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.643 0 C4'-C3'-C2' 99.014 -3.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 P-O3'-C3' 124.669 4.141 . 0.732 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.716 0 C4'-C3'-C2' 100.006 -2.694 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 C4'-C3'-C2' 99.303 -3.397 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.08 -3.62 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 C5'-C4'-O4' 112.866 2.619 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C4'-C3'-C2' 99.25 -3.45 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.171 0 C3'-C2'-C1' 102.919 1.577 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 0 O5'-C5'-C4' 112.681 1.772 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O5'-C5'-C4' 113.892 2.637 . 0.726 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 P-O3'-C3' 123.023 2.769 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.033 1 C4'-C3'-C2' 96.882 -5.818 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 1 C5'-C4'-O4' 115.258 4.327 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 1 C4'-C3'-C2' 98.277 -4.423 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 C4'-C3'-C2' 98.955 -3.745 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C4'-C3'-C2' 99.585 -3.115 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C4'-C3'-C2' 100.869 -1.831 . 0.954 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.955 0 P-O3'-C3' 123.152 2.877 . 0.182 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 0 C4'-C3'-C2' 99.404 -3.296 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.012 -3.688 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 98.861 -3.839 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 98.779 -3.921 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C4'-C3'-C2' 98.87 -3.83 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.792 1 C4'-C3'-C2' 98.553 -4.147 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.013 0 C4'-C3'-C2' 99.361 -3.339 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 O4'-C4'-C3' 109.511 2.865 . 0.645 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.776 0 C5'-C4'-C3' 109.781 -3.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 98.829 -3.871 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 C4'-C3'-C2' 99.1 -3.6 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 99.956 -2.744 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 120.847 0.355 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.15 123.38 49.11 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.14 139.02 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.664 -169.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.9 t -77.85 128.02 33.31 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.481 171.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -110.18 24.25 13.25 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.91 153.93 27.71 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.88 114.73 2.02 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -172.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.08 8.06 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.51 -78.94 0.25 Allowed 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 120.739 0.304 . . . . 0.0 110.935 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.39 15.97 77.26 Favored Glycine 0 CA--C 1.553 2.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.459 174.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.26 142.68 52.28 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.467 0.634 . . . . 0.0 110.599 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.41 136.88 54.99 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.933 0.397 . . . . 0.0 111.194 -173.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.21 156.13 40.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.951 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.45 -44.39 97.2 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.011 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.573 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 18.8 mttp -139.17 155.74 47.62 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -171.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -63.75 -28.65 70.03 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.12 -169.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.8 85.08 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 122.285 -0.259 . . . . 0.0 110.696 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.01 -35.74 66.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.766 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.15 -47.2 85.6 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.59 0.233 . . . . 0.0 110.552 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -61.02 -38.64 86.81 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.73 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.619 HG21 HD23 ' A' ' 148' ' ' LEU . 11.0 t -60.22 -41.31 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.425 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.14 -44.98 71.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.244 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -65.82 -31.77 72.92 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.426 0.155 . . . . 0.0 111.291 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.8 54.92 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.103 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.6 p -69.63 -40.83 76.32 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.379 -0.201 . . . . 0.0 111.399 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.73 -36.42 78.4 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -82.29 -18.79 41.1 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.0 30.54 16.34 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.331 0.652 . . . . 0.0 111.978 -176.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -128.94 157.08 42.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.391 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 41.9 mt -96.5 131.19 28.82 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 120.644 0.259 . . . . 0.0 111.316 -169.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -78.63 -37.5 0.65 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.5 2.133 . . . . 0.0 113.326 -170.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -96.72 95.48 7.95 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.866 0.365 . . . . 0.0 110.623 -169.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.23 142.93 29.29 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.37 122.09 86.1 Favored Pre-proline 0 CA--C 1.564 1.486 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -91.42 5.17 3.92 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.862 2.375 . . . . 0.0 113.23 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -63.77 143.66 57.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.37 107.44 2.42 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.94 -1.55 33.67 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.523 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -112.43 157.49 20.99 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -149.85 13.01 0.79 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.56 -176.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -66.57 149.1 50.97 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.744 0.307 . . . . 0.0 110.808 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -133.29 152.19 51.92 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 64.6 m-85 -134.1 163.99 28.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.414 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.6 m -84.99 -25.31 27.82 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.696 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 124' ' ' VAL . 17.3 mt -136.73 154.78 76.71 Favored Pre-proline 0 N--CA 1.473 0.702 0 CA-C-O 120.692 0.282 . . . . 0.0 111.015 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.5 Cg_endo -66.08 -34.97 35.64 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.527 2.151 . . . . 0.0 112.162 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 89.1 p -64.7 -34.28 77.93 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.005 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -39.15 67.46 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.8 tp -66.18 -45.38 81.07 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.759 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.83 -39.18 77.07 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -68.97 -37.72 78.96 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.898 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 79.6 t60 -63.37 -38.78 92.48 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.48 0.181 . . . . 0.0 111.112 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.75 -31.28 68.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.611 0.243 . . . . 0.0 110.609 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -59.63 -25.7 64.88 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.075 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.476 HG22 " H2'" ' B' ' 5' ' ' ' C' . 34.4 t -61.71 -42.38 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 175.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.35 -30.96 57.83 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.178 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.91 -29.08 65.04 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 120.644 0.259 . . . . 0.0 111.08 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.28 168.45 38.85 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 112.411 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.05 144.92 15.2 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.43 2.087 . . . . 0.0 112.493 -172.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -71.75 140.16 49.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.022 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.69 12.02 2.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.466 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -68.26 -21.88 64.79 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.21 143.8 25.22 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.29 -27.67 68.79 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.358 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 63.9 m -98.27 16.86 20.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.272 0.229 . . . . 0.0 111.27 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.87 162.42 15.47 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 171.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.5 p -149.87 0.76 0.48 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -65.3 136.56 56.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.731 0.3 . . . . 0.0 111.185 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.33 120.66 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.223 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.19 141.5 18.37 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.249 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.01 -21.25 65.05 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.523 0.201 . . . . 0.0 111.14 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.54 161.08 41.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 120.937 0.398 . . . . 0.0 110.734 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.0 t-105 -57.89 -40.09 79.44 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.328 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.7 p -57.4 -45.16 84.82 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.095 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.34 -33.72 76.15 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.359 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.71 -48.14 49.29 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 110.682 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 60.8 mt -60.32 -40.0 89.03 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -65.42 -42.15 92.81 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -61.88 -40.36 95.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.718 0.294 . . . . 0.0 110.667 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.6 t -61.59 -44.97 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.152 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.73 71.7 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.786 0.326 . . . . 0.0 111.024 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.14 -28.79 19.81 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.868 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.0 m -114.34 -17.41 11.81 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -135.17 25.44 3.54 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.625 0.25 . . . . 0.0 111.519 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.76 -55.9 0.18 Allowed 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.778 174.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 121.002 0.43 . . . . 0.0 110.904 177.704 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.106 0 C4'-C3'-C2' 99.161 -3.539 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C4'-C3'-C2' 99.209 -3.491 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 99.193 -3.507 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C3'-C2'-C1' 103.81 2.567 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.476 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.5 -2.759 0 O3'-P-O5' 110.402 3.37 . 0.249 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O5'-C5'-C4' 116.176 4.268 . 0.629 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 99.198 -3.502 . 0.578 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 1 C3'-C2'-C1' 97.46 -4.489 . 0.703 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.642 -3.058 . 0.645 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 0 C4'-C3'-C2' 100.105 -2.595 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C5'-C4'-O4' 114.338 3.67 . 0.201 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.545 0 C5'-C4'-C3' 110.406 -3.396 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.435 0 O5'-C5'-C4' 113.121 2.087 . 0.173 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.405 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 1 C5'-C4'-C3' 107.943 -5.038 . 0.488 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.215 -3.485 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.408 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.996 0 C4'-C3'-C2' 98.783 -3.917 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . 0.408 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.409 1 C4'-C3'-C2' 98.183 -4.517 . 0.91 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 1 C4'-C3'-C2' 97.865 -4.835 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.711 0 C4'-C3'-C2' 98.908 -3.792 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.414 -3.286 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 99.808 -2.892 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 C5'-C4'-C3' 109.331 -4.113 . 0.514 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 1 C5'-C4'-O4' 114.833 4.024 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.423 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.538 2.129 1 C3'-C2'-C1' 96.088 -6.013 . 0.339 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.573 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.547 2.811 1 C3'-C2'-C1' 97.608 -4.324 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 P-O3'-C3' 124.068 3.64 . 0.698 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 C4'-C3'-C2' 100.15 -2.55 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C4'-C3'-C2' 99.302 -3.398 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C4'-C3'-C2' 99.014 -3.686 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.266 0 C5'-C4'-O4' 112.877 2.627 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.294 -3.406 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.102 0 C3'-C2'-C1' 102.894 1.549 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.664 0 O5'-C5'-C4' 112.739 1.814 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.463 0 O5'-C5'-C4' 113.927 2.662 . 0.73 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 P-O3'-C3' 123.069 2.807 . 0.359 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 1 C4'-C3'-C2' 96.952 -5.748 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.548 1 C5'-C4'-O4' 115.338 4.384 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 C4'-C3'-C2' 98.293 -4.407 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.747 0 C4'-C3'-C2' 99.176 -3.524 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 100.132 -2.568 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C3'-C2'-C1' 99.875 -1.805 . 0.96 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.86 0 P-O3'-C3' 123.101 2.834 . 0.179 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.908 0 C4'-C3'-C2' 99.505 -3.195 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C4'-C3'-C2' 98.776 -3.924 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 C4'-C3'-C2' 98.647 -4.053 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 98.857 -3.843 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 98.737 -3.963 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.722 1 C4'-C3'-C2' 98.444 -4.256 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.907 0 C4'-C3'-C2' 99.368 -3.332 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 C5'-C4'-C3' 111.7 -2.533 . 0.761 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.545 0 C5'-C4'-C3' 110.241 -3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 98.955 -3.745 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 C4'-C3'-C2' 98.917 -3.783 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.888 -2.812 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.853 0.359 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -109.11 123.16 48.74 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.351 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.91 138.98 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.694 -169.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.71 128.39 33.98 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.489 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -110.38 24.18 13.32 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.63 154.74 24.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.71 114.77 2.2 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-O 120.85 0.357 . . . . 0.0 111.15 -171.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.9 t30 69.71 15.11 8.11 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.727 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.81 -78.65 0.24 Allowed 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.13 13.63 79.35 Favored Glycine 0 CA--C 1.555 2.531 0 CA-C-N 116.29 -0.414 . . . . 0.0 113.431 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.65 143.21 53.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 117.516 0.658 . . . . 0.0 110.693 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.81 136.96 55.04 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.901 0.381 . . . . 0.0 111.156 -173.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -126.2 155.93 41.01 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.252 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' HE3' ' HZ1' ' A' ' 118' ' ' LYS . 38.1 tttp -64.64 -40.39 95.37 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 178.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.449 ' HZ1' ' HE3' ' A' ' 117' ' ' LYS . 12.4 mmtp -134.15 148.02 50.88 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 -172.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -61.77 -28.65 69.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.505 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.87 -35.03 79.31 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 122.409 -0.182 . . . . 0.0 110.925 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -73.08 -37.0 66.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.61 0.243 . . . . 0.0 110.735 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.66 -47.16 86.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.836 0.35 . . . . 0.0 110.472 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.71 -40.71 84.5 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.734 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.669 HG21 HD13 ' A' ' 148' ' ' LEU . 9.6 t -60.16 -41.19 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.838 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.0 t60 -69.16 -45.05 70.98 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.573 0.225 . . . . 0.0 111.268 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -65.89 -31.73 72.83 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.354 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -28.82 54.11 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 120.427 0.156 . . . . 0.0 110.879 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -67.91 -46.82 70.48 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 122.402 -0.186 . . . . 0.0 111.227 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.37 83.89 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.769 0.318 . . . . 0.0 111.011 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.27 -18.59 41.86 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.88 30.8 16.56 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.358 0.663 . . . . 0.0 112.0 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -129.43 155.93 44.9 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.339 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.2 mt -95.6 132.48 27.37 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-O 120.677 0.275 . . . . 0.0 111.108 -169.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.69 -36.48 0.83 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.475 2.117 . . . . 0.0 113.206 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.45 94.09 6.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.914 0.387 . . . . 0.0 110.6 -169.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.15 139.49 33.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.634 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.2 t -73.91 121.01 84.15 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.606 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.59 4.34 4.0 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.801 2.334 . . . . 0.0 113.449 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -69.09 147.59 51.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 127.98 33.86 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.748 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.14 -0.04 83.44 Favored Glycine 0 CA--C 1.547 2.082 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.658 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.7 149.63 32.65 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -141.06 12.48 2.22 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -65.88 145.69 55.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -134.15 152.74 51.97 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -134.09 157.92 44.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.95 -169.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 p -82.38 -27.41 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.419 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.669 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.63 155.23 80.62 Favored Pre-proline 0 N--CA 1.477 0.912 0 O-C-N 123.081 0.238 . . . . 0.0 110.783 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 23.0 Cg_endo -67.3 -34.76 26.29 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.442 2.095 . . . . 0.0 112.068 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.9 p -62.24 -35.32 78.57 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.08 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -73.01 -37.58 66.89 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.036 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.74 -46.74 74.47 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.729 0.299 . . . . 0.0 110.75 173.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.5 81.1 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.843 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -69.5 -40.83 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.889 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.89 -33.77 72.27 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.032 174.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.42 -31.2 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 120.561 0.22 . . . . 0.0 110.887 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -59.57 -25.7 64.79 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.262 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.472 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.8 t -61.85 -41.24 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.705 0.288 . . . . 0.0 110.598 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -77.11 -32.67 56.7 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.287 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.02 64.93 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.7 0.286 . . . . 0.0 111.0 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.79 174.13 48.06 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.61 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.545 0.338 . . . . 0.0 110.244 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.95 142.21 15.48 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.356 2.037 . . . . 0.0 112.39 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.45 140.22 49.95 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -139.75 11.7 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.29 -20.8 63.9 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.125 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -151.29 145.42 25.33 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.831 0.348 . . . . 0.0 110.667 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.61 -27.58 68.5 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.554 -175.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -98.99 20.13 13.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.561 0.22 . . . . 0.0 111.194 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.6 t -114.48 130.31 56.72 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.174 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -131.48 15.66 4.96 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.536 -171.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.66 141.58 56.62 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.603 0.24 . . . . 0.0 110.918 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.5 t -128.36 122.37 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-O 120.846 0.355 . . . . 0.0 110.346 170.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.72 133.22 11.63 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.114 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -66.8 -15.03 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 122.754 -0.262 . . . . 0.0 111.297 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 162.28 40.97 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.841 0.353 . . . . 0.0 110.411 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 29.9 t-105 -57.64 -39.78 77.76 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.275 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.8 p -58.19 -46.69 85.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.477 0.18 . . . . 0.0 111.186 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.88 -35.26 79.42 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.264 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -69.33 -48.18 62.2 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.553 0.216 . . . . 0.0 110.622 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 177' ' ' TRP . 39.6 mt -60.62 -40.93 93.71 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.651 0.263 . . . . 0.0 110.975 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.92 -44.08 93.98 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.8 -45.11 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.084 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.92 71.61 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.795 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.24 -22.85 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.056 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 -19.02 6.17 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -169.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -135.53 17.03 3.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.564 0.221 . . . . 0.0 111.58 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -150.81 176.5 11.0 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.856 0.36 . . . . 0.0 110.753 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 N--CA 1.475 0.79 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.815 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.346 0 C4'-C3'-C2' 99.534 -3.166 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C4'-C3'-C2' 99.489 -3.211 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 98.973 -3.727 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.46 -3.24 . 0.947 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.472 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.539 2.234 0 O5'-C5'-C4' 115.39 3.707 . 0.283 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.727 0 O4'-C4'-C3' 110.602 3.645 . 0.667 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C4'-C3'-C2' 99.291 -3.409 . 0.593 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 C3'-C2'-C1' 97.715 -4.206 . 0.67 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.417 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.112 -3.588 . 0.704 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.934 0 C4'-C3'-C2' 99.765 -2.935 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 1 C5'-C4'-O4' 115.317 4.369 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 0 C5'-C4'-C3' 110.001 -3.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.52 0 C3'-C2'-C1' 99.664 -2.04 . 0.115 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.459 0 O5'-C5'-C4' 114.547 3.105 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.873 0 C5'-C4'-O4' 114.211 3.579 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 C4'-C3'-C2' 98.692 -4.008 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 1 C4'-C3'-C2' 98.198 -4.502 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C4'-C3'-C2' 98.846 -3.854 . 0.936 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 1 C4'-C3'-C2' 98.282 -4.418 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 1 C4'-C3'-C2' 98.114 -4.586 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 1 C4'-C3'-C2' 98.633 -4.067 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O5'-C5'-C4' 113.846 2.605 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C5'-C4'-C3' 109.833 -3.778 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C5'-C4'-O4' 114.438 3.741 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 2 C3'-C2'-C1' 95.76 -6.377 . 0.365 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.942 0 P-O3'-C3' 123.993 3.578 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 P-O3'-C3' 124.354 3.878 . 0.729 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.838 0 C4'-C3'-C2' 99.841 -2.859 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 99.071 -3.629 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 0 C4'-C3'-C2' 98.927 -3.773 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.146 0 C5'-C4'-O4' 112.841 2.601 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 99.271 -3.429 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.476 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.062 0 C3'-C2'-C1' 102.892 1.547 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.535 0 O5'-C5'-C4' 112.651 1.751 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.476 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O5'-C5'-C4' 113.925 2.661 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 P-O3'-C3' 123.027 2.773 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 1 C4'-C3'-C2' 96.929 -5.771 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.515 1 C5'-C4'-O4' 115.308 4.363 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 1 C4'-C3'-C2' 98.149 -4.551 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.908 0 O5'-C5'-C4' 115.505 3.789 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 C4'-C3'-C2' 99.422 -3.278 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 C4'-C3'-C2' 100.934 -1.766 . 0.923 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.798 0 P-O3'-C3' 123.134 2.862 . 0.201 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.402 -3.298 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C4'-C3'-C2' 98.912 -3.788 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 C4'-C3'-C2' 98.577 -4.123 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 C4'-C3'-C2' 98.68 -4.02 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.849 -3.851 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.753 1 C4'-C3'-C2' 98.597 -4.103 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.946 0 C4'-C3'-C2' 99.519 -3.181 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.148 0 O4'-C4'-C3' 109.761 3.044 . 0.571 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.689 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.776 -3.924 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 98.974 -3.726 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.907 -2.793 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -109.27 122.81 48.15 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.438 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.83 139.03 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.485 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -79.43 128.35 33.24 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.523 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.48 24.06 13.45 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.948 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.18 154.68 22.67 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.197 170.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.41 114.76 1.95 Allowed 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.762 0.315 . . . . 0.0 111.162 -172.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.8 15.08 8.01 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.616 174.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.0 t -85.16 -78.22 0.26 Allowed 'General case' 0 CA--C 1.565 1.536 0 CA-C-O 120.651 0.262 . . . . 0.0 111.071 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.82 14.49 73.01 Favored Glycine 0 CA--C 1.553 2.461 0 CA-C-N 116.383 -0.372 . . . . 0.0 113.457 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.3 tttp -70.13 144.56 52.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 117.457 0.629 . . . . 0.0 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.93 136.56 54.91 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.35 160.03 31.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.12 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -61.48 -47.08 87.27 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.232 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.586 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 10.6 mttp -137.3 156.85 47.76 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.879 -170.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -60.6 -28.34 68.42 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.542 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -63.7 -37.23 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 122.291 -0.255 . . . . 0.0 110.777 178.199 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.09 -37.77 66.62 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.683 0.277 . . . . 0.0 110.68 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.41 -47.09 87.36 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.837 0.351 . . . . 0.0 110.575 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.63 -37.18 80.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 148' ' ' LEU . 11.2 t -62.71 -41.23 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.9 t60 -69.5 -45.01 69.92 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.212 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.5 -31.8 73.07 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.195 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.86 55.04 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.806 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -69.22 -46.31 67.7 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.361 -0.212 . . . . 0.0 111.204 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -63.88 -36.27 83.38 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.071 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 74.0 p -83.24 -19.89 35.57 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 31.83 20.64 Favored 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 123.291 0.637 . . . . 0.0 111.896 -175.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.62 156.37 45.0 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 169.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -94.56 131.97 29.76 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-O 120.659 0.266 . . . . 0.0 111.038 -170.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.4 Cg_endo -78.82 -36.69 0.74 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.551 2.167 . . . . 0.0 113.266 -171.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 78.4 m-85 -100.87 94.05 5.84 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.549 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -100.81 141.76 33.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.06 121.06 84.29 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.489 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.57 5.52 3.77 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.857 2.371 . . . . 0.0 113.313 -172.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -68.41 151.97 46.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.939 0.4 . . . . 0.0 111.042 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.74 130.75 44.19 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.966 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.21 2.25 90.39 Favored Glycine 0 CA--C 1.549 2.18 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.767 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.9 t -114.48 150.95 34.03 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.844 0.354 . . . . 0.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -148.15 15.27 1.04 Allowed 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.23 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.02 146.21 53.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.752 0.311 . . . . 0.0 110.619 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -134.34 152.62 51.91 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.355 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -134.04 158.75 42.76 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.977 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 p -83.09 -27.97 29.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.47 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -128.99 155.84 79.06 Favored Pre-proline 0 N--CA 1.48 1.03 0 CA-C-O 120.61 0.243 . . . . 0.0 110.695 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.3 Cg_endo -67.14 -33.77 30.31 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.376 2.051 . . . . 0.0 112.164 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.4 p -62.37 -35.76 80.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.718 0.294 . . . . 0.0 111.062 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -73.08 -37.14 66.89 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.87 -45.64 77.48 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 172.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -58.15 -39.54 79.06 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.867 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -69.89 -40.16 75.84 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.969 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.12 -33.7 71.18 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.43 -30.99 67.32 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.593 0.235 . . . . 0.0 110.847 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -59.43 -25.86 64.69 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.153 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.495 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.4 t -61.92 -43.13 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 120.608 0.242 . . . . 0.0 110.776 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -77.09 -29.69 55.07 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.294 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.83 -26.99 63.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 120.742 0.306 . . . . 0.0 110.777 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.28 173.66 49.84 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.403 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -124.06 94.68 45.15 Favored Pre-proline 0 C--O 1.236 0.365 0 C-N-CA 122.478 0.311 . . . . 0.0 110.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.8 142.1 13.9 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.347 2.032 . . . . 0.0 112.332 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.19 139.31 48.15 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.053 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.5 11.78 2.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.439 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.46 -21.76 64.61 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.42 143.33 24.73 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.34 -23.71 66.4 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.589 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.8 m -101.56 22.04 13.36 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.593 0.235 . . . . 0.0 111.115 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.64 132.01 56.76 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.148 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.1 m -131.8 16.15 4.78 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.509 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -62.09 141.32 58.19 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.661 0.267 . . . . 0.0 110.85 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.3 123.09 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 170.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.43 133.32 11.71 Favored Glycine 0 N--CA 1.472 1.094 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.996 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.33 -14.79 63.24 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.74 -0.271 . . . . 0.0 111.213 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.67 42.21 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.752 0.31 . . . . 0.0 110.367 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.37 -40.22 77.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.277 -176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 p -57.66 -47.01 83.47 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.863 -0.153 . . . . 0.0 111.198 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.18 -35.47 78.94 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.415 0.15 . . . . 0.0 111.199 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.46 -48.23 61.48 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.646 0.26 . . . . 0.0 110.648 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 43.0 mt -60.09 -40.98 91.5 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -63.97 -43.79 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -61.96 -42.89 99.63 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.866 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.9 t -62.11 -45.09 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.124 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.31 -32.46 73.89 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 120.717 0.294 . . . . 0.0 110.984 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.17 -28.66 19.86 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.925 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.02 -20.21 12.05 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -134.92 15.78 3.56 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -140.75 -52.2 0.47 Allowed 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 120.458 0.17 . . . . 0.0 111.043 175.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 121.081 0.467 . . . . 0.0 110.797 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C4'-C3'-C2' 99.069 -3.631 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C4'-C3'-C2' 99.349 -3.351 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 99.182 -3.518 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 100.016 -2.684 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . 0.495 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.538 2.117 0 O5'-C5'-C4' 113.475 2.34 . 0.338 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.947 0 O4'-C4'-C3' 111.099 4.0 . 0.651 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 P-O3'-C3' 123.961 3.551 . 0.585 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 1 C3'-C2'-C1' 97.763 -4.152 . 0.673 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' C' . . . . . 0.436 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.195 -3.505 . 0.707 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 99.81 -2.89 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 C5'-C4'-O4' 115.274 4.339 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.657 0 C5'-C4'-C3' 109.978 -3.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.628 0 C3'-C2'-C1' 99.576 -2.137 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.526 0 O5'-C5'-C4' 114.586 3.133 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.905 0 C5'-C4'-O4' 114.303 3.645 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 98.752 -3.948 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.169 -4.531 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 0 C4'-C3'-C2' 99.226 -3.474 . 0.938 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.064 -3.636 . 0.934 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 C4'-C3'-C2' 98.272 -4.428 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 1 C4'-C3'-C2' 98.481 -4.219 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 99.831 -2.869 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C5'-C4'-C3' 112.253 -2.165 . 0.855 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C5'-C4'-O4' 113.701 3.215 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.402 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 2.081 1 C3'-C2'-C1' 95.885 -6.238 . 0.462 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.586 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.546 2.754 1 C3'-C2'-C1' 97.328 -4.636 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 P-O3'-C3' 124.388 3.907 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C4'-C3'-C2' 99.807 -2.893 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.084 0 C4'-C3'-C2' 99.06 -3.64 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 C4'-C3'-C2' 98.994 -3.706 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.16 0 C5'-C4'-O4' 112.706 2.504 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 99.221 -3.479 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.477 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.096 0 C4'-C3'-O3' 114.549 1.519 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.594 0 O5'-C5'-C4' 112.682 1.773 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O5'-C5'-C4' 113.949 2.678 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 P-O3'-C3' 123.062 2.802 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.006 1 C4'-C3'-C2' 96.966 -5.734 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 1 C5'-C4'-O4' 115.321 4.372 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 C4'-C3'-C2' 98.09 -4.61 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 1 C4'-C3'-C2' 98.681 -4.019 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 C4'-C3'-C2' 100.286 -2.414 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 100.589 -2.111 . 0.956 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 0 P-O3'-C3' 123.009 2.757 . 0.205 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.451 -3.249 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C4'-C3'-C2' 99.026 -3.674 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 1 C4'-C3'-C2' 98.681 -4.019 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 C4'-C3'-C2' 98.616 -4.084 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 98.859 -3.841 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.739 1 C4'-C3'-C2' 98.624 -4.076 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 C4'-C3'-C2' 99.402 -3.298 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 O4'-C4'-C3' 109.655 2.968 . 0.65 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.648 0 C5'-C4'-C3' 111.001 -3.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.103 0 C4'-C3'-C2' 98.763 -3.937 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.007 0 C4'-C3'-C2' 98.947 -3.753 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 99.964 -2.736 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.824 0.345 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.09 124.53 50.92 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.306 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.01 139.11 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.986 0.422 . . . . 0.0 111.628 -169.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.2 t -77.8 127.02 31.74 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.397 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -109.08 23.82 14.0 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.1 t80 -61.73 153.38 28.52 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.94 114.71 2.03 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.75 14.98 8.08 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.69 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.63 -79.63 0.22 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.674 0.273 . . . . 0.0 110.977 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.45 15.22 80.46 Favored Glycine 0 CA--C 1.555 2.573 0 CA-C-N 116.354 -0.385 . . . . 0.0 113.455 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.8 tttp -71.09 143.35 50.68 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 117.498 0.649 . . . . 0.0 110.688 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 137.51 54.86 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -126.2 154.68 42.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.273 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -66.93 -37.97 85.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.313 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -135.63 148.98 49.2 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.697 0.284 . . . . 0.0 110.803 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -66.31 -28.97 69.09 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -170.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -30.42 71.42 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 122.379 -0.201 . . . . 0.0 110.78 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -73.16 -37.55 66.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.59 0.233 . . . . 0.0 110.683 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.95 -47.13 86.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.693 0.282 . . . . 0.0 110.492 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.27 -39.32 86.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.2 -41.17 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 175.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.416 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.7 t60 -69.53 -44.99 69.85 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.214 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.34 -31.87 72.92 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.334 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.9 55.08 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.888 175.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.74 -46.56 71.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 122.481 -0.137 . . . . 0.0 111.197 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 95.3 m-70 -64.77 -36.3 83.87 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.839 0.352 . . . . 0.0 111.142 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 p -82.34 -18.85 40.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 30.41 16.94 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.342 0.657 . . . . 0.0 111.955 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.99 156.45 43.78 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.617 0.246 . . . . 0.0 110.378 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.71 131.27 28.4 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.095 -169.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -79.04 -37.88 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.587 2.191 . . . . 0.0 113.288 -170.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.48 97.56 9.53 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.756 0.312 . . . . 0.0 110.6 -169.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.36 142.98 31.09 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 120.833 0.349 . . . . 0.0 110.948 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.95 121.24 84.63 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.23 4.74 4.61 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.851 2.368 . . . . 0.0 113.188 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.93 146.45 54.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.022 0.439 . . . . 0.0 111.009 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.54 118.44 9.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.08 65.73 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.602 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -109.75 155.83 21.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.854 0.359 . . . . 0.0 110.701 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -148.03 13.53 1.0 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -66.07 144.77 56.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.732 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -131.84 151.82 51.42 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -133.97 160.21 38.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.13 -169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.8 p -83.42 -29.18 28.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.516 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.662 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.72 155.02 81.03 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 120.607 0.241 . . . . 0.0 110.8 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.6 Cg_endo -66.33 -36.85 26.01 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.447 2.098 . . . . 0.0 112.145 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 55.6 m -65.92 -31.34 72.21 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.042 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -72.54 -39.19 67.71 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.889 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp -66.13 -44.82 83.14 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -55.62 -42.32 74.74 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.11 90.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.727 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.26 -36.97 79.02 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.621 0.248 . . . . 0.0 111.185 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -58.72 -31.53 68.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 120.727 0.298 . . . . 0.0 110.842 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -59.78 -25.77 65.18 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.287 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.73 -40.89 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-O 120.659 0.266 . . . . 0.0 110.596 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.94 -30.14 55.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.24 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -73.05 -29.07 62.7 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.957 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.3 173.61 47.35 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.7 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.14 94.76 44.88 Favored Pre-proline 0 C--O 1.235 0.306 0 C-N-CA 122.684 0.394 . . . . 0.0 110.173 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.63 140.56 14.96 Favored 'Trans proline' 0 N--CA 1.445 -1.354 0 C-N-CA 122.295 1.996 . . . . 0.0 112.183 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.88 143.22 52.86 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -142.34 12.13 1.95 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.542 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -67.06 -23.37 65.86 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -148.63 144.05 26.94 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.85 -28.05 69.29 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.42 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.1 m -96.96 17.19 17.46 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.204 0.202 . . . . 0.0 111.326 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.01 159.03 15.35 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.0 p -149.93 3.8 0.54 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -64.69 139.68 58.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.683 0.278 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.29 120.32 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.181 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.84 134.7 12.86 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.122 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.05 -14.81 63.26 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 122.813 -0.228 . . . . 0.0 111.357 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 161.3 42.92 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.838 0.352 . . . . 0.0 110.486 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.3 t-105 -58.13 -40.03 80.26 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.292 -176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -56.96 -47.05 81.65 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.016 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.28 -33.84 75.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.323 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -70.11 -48.19 58.62 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.594 0.235 . . . . 0.0 110.553 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 65.8 mt -60.06 -42.04 93.65 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -66.58 -39.41 88.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -61.93 -41.37 97.87 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.62 0.248 . . . . 0.0 110.804 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.6 -45.09 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.87 73.13 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.172 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -89.22 -39.05 13.79 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.745 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.83 -18.88 16.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -169.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 CA--C 1.55 0.958 0 CA-C-O 120.967 0.413 . . . . 0.0 110.842 -179.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.934 0.397 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.18 123.77 49.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.252 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.16 139.11 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.904 -169.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.417 ' HA ' HD11 ' A' ' 122' ' ' LEU . 43.8 t -79.07 130.56 35.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.458 170.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -112.37 24.61 12.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.944 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.22 154.91 22.2 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.111 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.37 114.77 2.13 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.884 0.373 . . . . 0.0 111.131 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.88 14.95 7.94 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.674 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 52.0 t -84.18 -78.46 0.24 Allowed 'General case' 0 CA--C 1.562 1.427 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.24 13.32 76.69 Favored Glycine 0 CA--C 1.554 2.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.394 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -69.44 143.79 53.48 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.546 0.673 . . . . 0.0 110.644 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.54 138.5 54.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -126.24 156.62 40.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -65.53 -41.16 93.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.126 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -133.18 146.14 51.25 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.757 0.313 . . . . 0.0 110.707 -173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -63.22 -28.62 70.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -63.94 -32.7 74.33 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 122.267 -0.271 . . . . 0.0 110.838 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -73.01 -37.39 66.97 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.651 0.263 . . . . 0.0 110.641 172.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.7 tp -60.82 -47.11 87.85 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.652 0.263 . . . . 0.0 110.519 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -59.1 -41.53 88.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.723 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.648 HG21 HD23 ' A' ' 148' ' ' LEU . 9.5 t -60.19 -41.23 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 74.9 t60 -67.3 -44.57 78.89 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.62 0.247 . . . . 0.0 111.133 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.99 -31.72 73.0 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.283 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -28.87 52.41 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.814 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t -68.36 -47.19 68.08 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.412 -0.18 . . . . 0.0 111.22 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.68 -36.34 83.54 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.3 p -81.93 -18.09 44.83 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.94 17.1 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 123.318 0.647 . . . . 0.0 111.849 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.91 155.87 46.02 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.251 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 37.0 mt -95.06 132.52 27.92 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.105 -169.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.7 Cg_endo -78.72 -36.87 0.73 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.509 2.139 . . . . 0.0 113.243 -171.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.2 m-85 -99.57 91.75 5.04 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.476 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -98.39 143.03 29.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.87 120.21 80.1 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.495 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -92.14 5.8 3.47 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 C-N-CA 122.873 2.382 . . . . 0.0 113.317 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.91 150.62 40.75 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.054 0.454 . . . . 0.0 110.941 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.82 133.83 52.8 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.12 3.35 90.68 Favored Glycine 0 CA--C 1.55 2.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.803 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -120.26 152.86 37.16 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -149.85 16.85 0.88 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.423 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -64.45 149.59 48.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 -135.23 151.35 50.52 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 120.881 0.372 . . . . 0.0 110.476 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -134.08 159.51 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.083 -169.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.6 p -88.05 -15.6 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 -174.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.648 HD23 HG21 ' A' ' 124' ' ' VAL . 17.2 mt -142.34 154.18 63.63 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.71 0.29 . . . . 0.0 111.031 178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.5 Cg_endo -65.9 -31.65 46.99 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.57 2.18 . . . . 0.0 112.42 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 p -63.85 -38.26 90.45 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.43 -39.05 71.29 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.2 -46.35 87.42 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.772 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.0 -37.51 82.78 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -69.45 -34.0 73.75 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.483 0.182 . . . . 0.0 110.853 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.8 -37.96 79.61 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.53 0.205 . . . . 0.0 111.135 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -58.59 -31.14 67.75 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.656 0.265 . . . . 0.0 110.895 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.46 -25.71 64.63 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.084 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.74 -42.75 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-O 120.641 0.258 . . . . 0.0 110.512 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -74.9 -29.39 60.97 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.321 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.98 63.5 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.823 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.68 170.41 41.9 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 116.398 -0.365 . . . . 0.0 112.475 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -124.19 94.8 44.73 Favored Pre-proline 0 CA--C 1.538 0.497 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.15 145.42 17.25 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.477 2.118 . . . . 0.0 112.597 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 138.28 46.71 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.019 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.25 12.75 3.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.537 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -67.94 -23.03 65.02 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.088 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.82 145.46 24.97 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.86 -27.22 68.06 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.451 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 88.0 p -93.63 16.37 13.99 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.07 136.61 52.51 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.9 m -134.22 16.08 3.79 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.437 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.8 139.78 58.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.616 0.246 . . . . 0.0 110.799 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.42 123.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.419 170.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.39 139.63 16.17 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 121.234 -0.507 . . . . 0.0 112.057 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -69.45 -17.72 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 122.878 -0.189 . . . . 0.0 111.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.96 161.51 41.75 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 120.908 0.385 . . . . 0.0 110.444 175.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.422 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -57.66 -40.2 78.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.429 -174.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.6 p -57.29 -45.45 84.1 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.094 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.278 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -69.08 -48.24 63.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.617 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 177' ' ' TRP . 52.5 mt -60.97 -41.06 95.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.887 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.4 -41.56 96.59 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.83 -42.45 99.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.8 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 14.5 t -61.87 -45.08 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.017 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.88 74.33 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -89.22 -32.59 17.36 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.882 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.1 m -107.32 -19.72 13.5 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 N--CA 1.486 1.348 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.07 122.8 48.04 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -109.0 139.07 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.755 -169.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.1 t -78.69 129.38 34.64 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.495 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -111.3 24.77 12.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.88 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.27 154.43 23.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.67 114.74 1.99 Allowed 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 t30 69.78 15.09 8.04 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.712 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.41 -78.82 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.764 0.316 . . . . 0.0 110.945 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.48 13.52 77.49 Favored Glycine 0 CA--C 1.554 2.488 0 CA-C-N 116.316 -0.402 . . . . 0.0 113.43 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -70.58 143.87 51.41 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.448 0.624 . . . . 0.0 110.638 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.0 54.58 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -126.26 156.51 40.22 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.259 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -63.83 -41.23 97.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.305 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -134.68 148.52 50.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.735 -171.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -64.56 -28.9 69.95 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.642 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -65.24 -33.85 76.97 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 122.342 -0.224 . . . . 0.0 110.835 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.05 -35.55 66.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.0 tp -61.68 -47.1 86.88 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 120.682 0.277 . . . . 0.0 110.484 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -56.9 -41.93 79.01 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.738 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.614 HG21 HD23 ' A' ' 148' ' ' LEU . 11.6 t -59.14 -41.22 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 120.738 0.304 . . . . 0.0 111.054 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.2 t60 -68.3 -45.05 74.06 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.574 0.225 . . . . 0.0 111.246 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.86 -31.74 73.11 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.332 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.89 53.48 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.811 175.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -67.92 -47.14 69.57 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 122.441 -0.162 . . . . 0.0 111.242 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -63.98 -36.33 83.63 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.6 p -81.85 -18.31 44.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.043 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.79 32.32 17.32 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.338 0.655 . . . . 0.0 111.891 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.3 155.82 45.68 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 169.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.3 mt -95.71 132.42 27.36 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 120.686 0.279 . . . . 0.0 111.079 -169.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -78.97 -37.06 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 113.222 -171.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 85.4 m-85 -98.94 92.71 5.65 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.514 -170.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -98.8 142.99 29.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.9 t -73.81 121.06 84.25 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.379 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.96 4.86 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.889 2.393 . . . . 0.0 113.167 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.1 151.3 47.18 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.162 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.26 128.65 36.7 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.0 90.33 Favored Glycine 0 CA--C 1.548 2.103 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.713 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -115.12 153.05 31.48 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 120.82 0.343 . . . . 0.0 110.713 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.28 19.36 0.75 Allowed 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.52 143.24 57.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.726 0.298 . . . . 0.0 110.269 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -134.17 150.76 51.11 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.07 157.57 45.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.087 -169.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -84.58 -18.11 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.539 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.614 HD23 HG21 ' A' ' 124' ' ' VAL . 20.4 mt -140.98 154.41 68.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.0 Cg_endo -66.73 -29.73 42.43 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.608 2.205 . . . . 0.0 112.287 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.3 p -66.89 -37.74 84.96 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -70.6 -38.2 73.96 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.883 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.23 -43.77 93.93 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.681 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -39.98 78.37 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.879 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -42.03 90.38 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.809 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.41 -37.06 82.1 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.522 0.201 . . . . 0.0 111.346 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 -31.25 68.08 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.608 0.242 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.61 -25.82 64.96 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.145 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.8 -43.32 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.587 0.232 . . . . 0.0 110.652 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -77.01 -30.55 55.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.288 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.04 64.94 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 120.654 0.264 . . . . 0.0 110.812 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.11 173.33 48.63 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.55 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.18 94.85 44.68 Favored Pre-proline 0 C--O 1.236 0.391 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.48 141.59 15.9 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.338 2.025 . . . . 0.0 112.34 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.89 140.67 53.18 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -142.48 12.38 1.93 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.417 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.71 -23.31 65.27 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -148.19 144.28 27.62 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.834 0.349 . . . . 0.0 110.684 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.28 -27.87 68.94 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.479 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -96.25 17.29 16.13 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.291 -177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 159.11 15.1 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.7 p -151.67 4.81 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -64.86 141.14 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.699 0.285 . . . . 0.0 111.062 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.7 t -128.25 122.66 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.266 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.91 133.24 11.65 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.027 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -66.99 -15.57 63.81 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 122.779 -0.248 . . . . 0.0 111.182 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.4 160.9 43.04 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.405 175.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.445 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.9 t-105 -58.0 -39.26 77.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.8 p -57.09 -47.39 81.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.159 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.0 -34.9 77.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.373 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -69.29 -48.12 62.55 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.542 0.211 . . . . 0.0 110.594 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.445 HD11 ' CE2' ' A' ' 177' ' ' TRP . 47.1 mt -59.93 -41.63 92.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.45 -42.4 95.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -61.95 -42.11 98.74 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.703 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.0 t -61.72 -44.9 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.078 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 120.675 0.274 . . . . 0.0 111.154 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.28 -28.27 20.0 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.99 -19.94 12.16 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -169.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.337 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -109.13 122.17 46.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.84 139.08 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.833 -169.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 122' ' ' LEU . 44.2 t -78.86 129.74 34.9 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.452 171.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -111.58 24.24 12.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.26 154.44 23.62 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.133 170.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.88 114.75 2.03 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 -172.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 69.85 15.13 7.96 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.676 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.3 -78.56 0.23 Allowed 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.667 0.27 . . . . 0.0 110.999 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.38 13.84 77.16 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.389 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 35.2 tttp -69.48 144.05 53.34 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.538 0.669 . . . . 0.0 110.669 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 138.37 54.37 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 -174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -126.28 158.49 35.62 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.198 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 1.3 ptmt -76.82 -30.53 56.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.914 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' A' ' 117' ' ' LYS . 27.0 mmtm -129.24 148.09 51.14 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -65.26 -28.73 69.55 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.507 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -64.18 -32.11 73.57 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 122.286 -0.259 . . . . 0.0 110.963 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.23 -37.1 69.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.67 0.271 . . . . 0.0 110.676 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 107' ' ' CYS . 28.3 tp -62.02 -47.2 85.82 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.64 -40.16 86.74 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.622 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.685 HG21 HD23 ' A' ' 148' ' ' LEU . 12.7 t -61.29 -41.19 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.2 t60 -67.62 -44.35 78.21 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.075 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.78 -31.69 73.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.306 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.77 54.28 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 116.845 -0.161 . . . . 0.0 110.857 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.74 -46.84 67.83 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 122.389 -0.194 . . . . 0.0 111.182 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.81 -36.26 83.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.729 0.299 . . . . 0.0 110.999 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 80.0 p -82.29 -18.75 41.22 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.01 33.0 19.3 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.244 0.618 . . . . 0.0 111.899 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -131.08 155.8 46.3 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 36.6 mt -94.5 132.28 29.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.096 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.5 Cg_endo -78.42 -36.46 0.93 Allowed 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.565 2.177 . . . . 0.0 113.233 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.5 m-85 -100.23 92.75 5.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.936 0.398 . . . . 0.0 110.43 -169.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -95.15 143.01 26.92 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.548 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.83 121.04 84.22 Favored Pre-proline 0 CA--C 1.564 1.481 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.348 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -89.88 4.5 4.85 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 122.906 2.404 . . . . 0.0 113.251 -171.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.43 144.1 57.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.41 111.29 3.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.58 -3.94 42.97 Favored Glycine 0 CA--C 1.544 1.878 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.602 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.46 155.51 19.5 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.851 0.358 . . . . 0.0 110.627 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -146.06 13.24 1.28 Allowed 'General case' 0 CA--C 1.557 1.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.2 145.59 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -134.29 152.26 51.72 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.335 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.02 156.12 48.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.225 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.8 p -87.34 -15.68 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.576 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.685 HD23 HG21 ' A' ' 124' ' ' VAL . 15.3 mt -141.87 154.59 65.66 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.875 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.1 Cg_endo -66.29 -32.84 40.84 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.531 2.154 . . . . 0.0 112.384 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.1 p -62.57 -37.63 86.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.732 0.301 . . . . 0.0 111.043 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.35 -39.26 71.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.887 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.04 -45.88 86.89 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.757 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.69 -36.51 74.33 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.111 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -73.11 -35.42 66.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.855 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -66.03 -35.2 79.91 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.585 0.231 . . . . 0.0 111.172 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.61 -31.19 67.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.55 0.214 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -59.61 -25.7 64.85 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.177 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.5 t -61.77 -43.22 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 120.663 0.268 . . . . 0.0 110.522 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.18 -28.25 57.24 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.227 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.28 63.13 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-O 120.636 0.255 . . . . 0.0 110.853 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.07 171.46 44.47 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.398 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -124.16 94.8 44.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.47 145.55 14.89 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.481 2.12 . . . . 0.0 112.596 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.6 t -74.67 141.02 44.6 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.17 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -142.23 13.51 2.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.319 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.18 -23.13 65.73 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.031 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -150.61 145.89 26.18 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.33 -27.92 68.94 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.446 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.1 p -93.58 16.35 13.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.386 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -113.83 136.74 52.53 Favored 'General case' 0 CA--C 1.55 0.942 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.248 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -136.08 17.02 3.23 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.425 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.41 140.35 58.56 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.655 0.264 . . . . 0.0 110.864 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 123.34 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.7 137.93 15.25 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.201 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -22.48 66.36 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 122.888 -0.184 . . . . 0.0 111.057 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.78 162.14 39.82 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.5 t-105 -57.72 -40.09 78.79 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.379 -174.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 p -56.97 -48.02 79.38 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.469 0.176 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.9 -35.63 78.92 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.183 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -68.24 -48.12 65.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.626 0.251 . . . . 0.0 110.655 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.6 mt -60.73 -39.58 89.17 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.03 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -63.95 -43.59 95.38 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.835 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -61.95 -42.88 99.61 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.704 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.75 -45.07 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.997 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.64 74.07 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.988 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -89.25 -27.12 20.81 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.95 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 96.1 m -114.9 -19.78 10.83 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.16 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 120.877 0.37 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -109.11 119.57 39.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.1 t -111.31 139.19 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.833 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.23 128.4 33.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.439 171.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -110.53 24.29 13.16 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.994 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.43 153.77 26.15 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.5 114.78 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.784 0.326 . . . . 0.0 111.247 -172.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.78 15.14 8.02 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.748 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -84.95 -78.39 0.25 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 120.755 0.312 . . . . 0.0 111.027 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.83 15.2 73.63 Favored Glycine 0 CA--C 1.551 2.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.432 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.6 142.71 53.48 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 117.462 0.631 . . . . 0.0 110.472 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.92 54.83 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 -173.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -126.26 157.04 39.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.992 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' ' HG3' ' A' ' 118' ' ' LYS . 1.2 ptmt -72.31 -32.07 66.25 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.512 ' HG3' ' HG3' ' A' ' 117' ' ' LYS . 55.4 mttp -137.78 154.02 49.62 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.074 0.464 . . . . 0.0 111.773 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -67.55 -28.69 68.01 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.703 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.97 -36.08 82.78 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 122.318 -0.239 . . . . 0.0 110.716 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.8 -37.74 70.36 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.686 0.279 . . . . 0.0 110.549 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.66 -47.27 86.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.75 0.31 . . . . 0.0 110.704 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -62.52 -38.47 90.1 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.87 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 148' ' ' LEU . 3.2 t -59.91 -41.21 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 73.5 t60 -68.46 -44.93 73.78 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.159 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.12 -31.69 72.98 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.395 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.93 53.46 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.757 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.3 t -67.69 -46.93 70.87 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 122.431 -0.168 . . . . 0.0 111.265 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.26 -36.26 83.51 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.835 0.35 . . . . 0.0 111.058 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -81.83 -17.84 46.06 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.01 32.73 16.05 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.283 0.633 . . . . 0.0 111.838 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -131.19 155.47 46.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.223 169.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.6 mt -94.87 133.72 26.05 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.072 -169.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -79.93 -38.15 0.38 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.561 2.174 . . . . 0.0 113.256 -171.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.564 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.0 m-85 -95.24 92.24 6.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.509 -170.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.44 141.78 28.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 33.8 t -73.92 120.48 81.47 Favored Pre-proline 0 CA--C 1.565 1.543 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.454 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.17 5.72 4.81 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.836 2.357 . . . . 0.0 113.349 -171.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.27 142.38 58.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.41 103.4 1.63 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 113.31 -1.33 25.21 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -110.34 158.23 18.66 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.827 0.346 . . . . 0.0 110.614 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.05 11.71 0.94 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.668 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -66.52 148.76 51.43 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 120.817 0.341 . . . . 0.0 110.687 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -135.28 154.0 51.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -134.12 160.18 38.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.951 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 148' ' ' LEU . 9.0 p -83.27 -26.95 30.22 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.511 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -136.52 155.62 76.85 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 122.381 0.272 . . . . 0.0 110.423 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.564 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.1 Cg_endo -64.64 -25.01 62.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.637 2.225 . . . . 0.0 112.563 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.1 p -65.02 -43.71 91.58 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -70.1 -36.12 74.64 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.99 -43.98 94.05 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.509 0.195 . . . . 0.0 110.775 173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -64.58 -35.45 81.01 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.803 -0.181 . . . . 0.0 111.111 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.83 -40.37 91.73 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.562 0.22 . . . . 0.0 110.594 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.84 -39.08 90.45 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.077 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.81 -31.41 68.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.549 0.214 . . . . 0.0 110.982 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.72 -25.91 65.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.03 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.76 -43.5 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 120.721 0.296 . . . . 0.0 110.53 176.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -77.12 -28.58 54.39 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.22 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.66 63.26 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.665 0.269 . . . . 0.0 110.841 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.23 168.87 44.66 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.385 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -124.06 94.79 44.98 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.59 145.83 16.63 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.546 2.164 . . . . 0.0 112.522 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -74.06 138.64 44.13 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.017 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -137.35 12.71 3.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.418 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -68.35 -21.88 64.71 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.106 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.68 141.67 23.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.835 0.35 . . . . 0.0 110.679 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.33 -22.59 66.28 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.618 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 72.4 m -100.34 19.42 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.207 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.33 163.08 13.23 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 171.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.53 5.75 0.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.68 138.01 57.11 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.757 0.313 . . . . 0.0 111.104 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.38 122.04 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.236 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.58 139.01 16.91 Favored Glycine 0 N--CA 1.473 1.155 0 C-N-CA 121.367 -0.444 . . . . 0.0 112.103 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -69.62 -18.33 63.59 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 120.578 0.227 . . . . 0.0 111.068 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.83 160.2 43.01 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.418 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.7 t-105 -57.97 -38.9 76.89 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.365 -174.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.2 p -57.62 -46.37 84.2 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.14 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.17 -35.3 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.28 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -69.43 -48.28 61.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 110.589 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 177' ' ' TRP . 55.4 mt -60.2 -40.76 91.19 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.764 0.316 . . . . 0.0 110.814 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -64.74 -41.68 95.75 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.91 -42.61 99.29 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.824 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.64 -45.03 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.02 73.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.704 0.288 . . . . 0.0 111.153 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.24 -43.99 10.59 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.652 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 93.3 m -92.54 -20.52 20.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -169.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -178.438 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 120.823 0.344 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.13 124.16 50.36 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.444 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.0 t -110.49 139.09 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.726 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 122' ' ' LEU . 52.7 t -79.5 128.52 33.47 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.454 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -110.89 24.94 12.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.874 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.3 154.35 24.02 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -55.44 114.63 1.9 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.881 0.372 . . . . 0.0 111.186 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.83 14.95 7.99 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.612 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.25 -79.82 0.22 Allowed 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 120.746 0.307 . . . . 0.0 110.968 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.32 15.65 77.06 Favored Glycine 0 CA--C 1.555 2.541 0 CA-C-N 116.327 -0.397 . . . . 0.0 113.423 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.2 tttp -70.96 143.29 50.91 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 117.356 0.578 . . . . 0.0 110.633 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.12 138.04 54.38 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -126.09 160.03 31.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -64.27 -42.08 96.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.153 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -143.09 155.86 44.69 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.867 -170.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -64.44 -28.86 69.96 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.755 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.58 -32.38 73.69 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 122.437 -0.164 . . . . 0.0 110.86 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -73.1 -37.7 66.63 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.693 0.282 . . . . 0.0 110.744 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 107' ' ' CYS . 23.0 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.744 0.307 . . . . 0.0 110.435 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.61 -39.2 87.32 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.896 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 148' ' ' LEU . 6.1 t -58.96 -41.26 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 176.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.411 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.9 -45.08 68.38 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.215 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.15 -31.82 73.2 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.351 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.78 53.28 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.992 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.55 -46.49 69.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.186 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.25 -36.28 83.58 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.971 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.3 p -82.77 -19.3 38.08 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.5 31.13 18.37 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.264 0.626 . . . . 0.0 112.022 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.89 156.52 44.26 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.389 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.37 131.73 29.17 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 120.73 0.3 . . . . 0.0 111.028 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -78.97 -37.5 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.473 2.115 . . . . 0.0 113.211 -170.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.495 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.93 95.04 7.56 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.618 -170.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.88 143.07 28.87 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.857 0.361 . . . . 0.0 110.828 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.66 121.57 85.55 Favored Pre-proline 0 CA--C 1.565 1.526 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.557 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -91.9 4.64 3.8 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 122.882 2.388 . . . . 0.0 113.313 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -69.99 150.38 46.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.127 0.489 . . . . 0.0 110.966 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.65 129.91 42.08 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.977 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.03 4.87 89.74 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.764 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -119.11 154.44 33.23 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.9 18.36 0.68 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.03 145.98 54.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.391 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -134.0 149.19 51.2 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 57.5 m-85 -134.04 161.4 34.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.177 -169.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 p -82.95 -29.55 28.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.622 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 124' ' ' VAL . 4.4 mm? -129.25 155.23 80.29 Favored Pre-proline 0 N--CA 1.479 1.018 0 CA-C-O 120.649 0.261 . . . . 0.0 110.798 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 19.8 Cg_endo -65.93 -34.8 37.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.466 2.111 . . . . 0.0 112.146 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -33.12 74.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.081 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.15 -36.69 66.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.033 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.66 -45.38 83.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.618 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -54.83 -40.87 70.03 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.56 -40.63 84.91 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.893 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 75.4 t60 -61.07 -34.04 74.28 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.523 0.201 . . . . 0.0 111.343 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.45 -30.06 66.64 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 122.291 -0.256 . . . . 0.0 110.76 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -59.43 -25.65 64.52 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.109 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.7 t -61.73 -40.83 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 120.61 0.243 . . . . 0.0 110.602 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -77.06 -32.21 56.67 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.19 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.03 63.52 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 120.635 0.255 . . . . 0.0 111.079 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.32 173.21 46.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 116.475 -0.329 . . . . 0.0 112.564 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -124.11 94.74 44.97 Favored Pre-proline 0 C--O 1.236 0.362 0 C-N-CA 122.526 0.33 . . . . 0.0 110.134 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.35 140.95 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.207 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.23 142.28 52.39 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.084 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -143.5 12.11 1.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.586 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -68.1 -22.39 64.91 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -146.98 142.26 27.33 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.811 0.339 . . . . 0.0 110.473 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -65.15 -24.25 67.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.594 -174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.9 m -102.78 19.35 19.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.167 0.187 . . . . 0.0 111.273 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.0 158.96 15.38 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 171.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -149.44 2.65 0.55 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.65 139.92 58.81 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.768 0.318 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 121.36 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.52 134.61 12.83 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.1 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -66.93 -17.55 64.96 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 122.829 -0.218 . . . . 0.0 111.135 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.39 163.29 38.73 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.845 0.355 . . . . 0.0 110.596 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.438 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.8 t-105 -58.34 -41.06 83.78 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.408 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.3 p -57.39 -46.85 83.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.389 0.138 . . . . 0.0 111.028 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.06 -34.56 76.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.311 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.94 -48.07 59.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.54 0.209 . . . . 0.0 110.644 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.438 HD11 ' CE2' ' A' ' 177' ' ' TRP . 53.1 mt -59.78 -41.48 91.23 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.85 0.357 . . . . 0.0 111.052 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.92 -43.33 96.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -62.03 -42.53 99.27 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.776 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.8 t -62.09 -45.03 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.135 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.35 72.51 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.36 -28.47 19.78 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.044 -175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.9 m -113.89 -19.16 11.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.46 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.819 0.342 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -109.13 122.29 46.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.465 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -109.93 139.14 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.73 -169.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 122' ' ' LEU . 50.6 t -78.45 129.06 34.47 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.463 171.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -111.32 24.57 12.68 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.24 154.53 23.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.165 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.77 114.76 2.02 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 -172.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.6 t30 69.77 15.11 8.04 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.04 -78.41 0.25 Allowed 'General case' 0 CA--C 1.564 1.491 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.9 13.78 75.68 Favored Glycine 0 CA--C 1.554 2.474 0 CA-C-N 116.323 -0.398 . . . . 0.0 113.435 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 39.1 tttp -69.7 143.33 53.15 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 117.49 0.645 . . . . 0.0 110.626 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.79 137.51 54.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.932 0.396 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -126.15 156.77 39.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.198 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.18 -45.33 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.989 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -137.44 153.93 50.03 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.007 -170.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.2 -28.66 69.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.596 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -64.01 -35.82 81.98 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 122.378 -0.201 . . . . 0.0 110.963 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -72.63 -36.09 67.95 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.651 0.263 . . . . 0.0 110.73 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.9 tp -61.18 -47.03 88.04 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 120.614 0.245 . . . . 0.0 110.554 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.21 -43.45 82.8 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.677 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.654 HG21 HD23 ' A' ' 148' ' ' LEU . 13.1 t -58.3 -41.07 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 0.0 110.968 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.5 t60 -69.42 -45.03 70.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.221 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.63 -31.74 72.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.85 54.55 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.449 0.166 . . . . 0.0 110.882 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -68.33 -46.61 69.73 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 122.379 -0.201 . . . . 0.0 111.21 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.22 -36.4 83.95 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.089 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -82.55 -19.28 38.91 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.24 31.5 18.55 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.292 0.637 . . . . 0.0 111.941 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.53 156.27 44.44 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.5 mt -95.66 132.05 28.18 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.148 -169.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.0 Cg_endo -78.99 -37.29 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.515 2.143 . . . . 0.0 113.211 -171.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -97.74 94.22 6.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -98.97 141.58 31.55 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.99 119.88 78.45 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.504 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -92.01 5.63 3.56 Favored 'Trans proline' 0 CA--C 1.552 1.377 0 C-N-CA 122.82 2.346 . . . . 0.0 113.268 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -71.73 148.88 45.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.985 0.421 . . . . 0.0 111.0 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.31 128.34 35.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.88 2.13 81.65 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.724 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.0 t -120.69 152.9 37.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 120.99 0.424 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -148.93 17.05 0.97 Allowed 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 149.72 49.98 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.641 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -135.04 150.39 50.29 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.11 163.6 29.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.055 -169.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 p -88.23 -20.9 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.696 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.654 HD23 HG21 ' A' ' 124' ' ' VAL . 16.8 mt -138.63 153.97 72.81 Favored Pre-proline 0 N--CA 1.473 0.692 0 CA-C-O 120.699 0.285 . . . . 0.0 111.014 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.6 Cg_endo -67.54 -33.59 28.35 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.521 2.148 . . . . 0.0 112.264 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.7 p -63.4 -37.95 89.26 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.987 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -42.57 74.83 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.16 -46.74 85.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.647 0.261 . . . . 0.0 110.823 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -59.13 -35.84 74.16 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.25 -32.86 64.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.983 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.32 -38.1 89.14 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.643 0.259 . . . . 0.0 111.05 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.77 -31.28 68.23 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.64 0.257 . . . . 0.0 110.931 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -59.76 -25.81 65.18 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.67 -42.88 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.834 0.349 . . . . 0.0 110.43 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -74.99 -28.8 60.69 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.35 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.91 62.62 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.643 0.259 . . . . 0.0 110.814 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 170.65 46.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.382 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.07 94.72 45.06 Favored Pre-proline 0 C--O 1.237 0.434 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.18 146.32 14.12 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.506 2.137 . . . . 0.0 112.63 -171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -75.33 140.82 43.32 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.149 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -142.61 13.52 1.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.381 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.65 -23.7 66.19 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.12 142.55 26.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.508 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.15 -21.09 64.03 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.639 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.3 m -98.19 18.2 16.81 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 120.498 0.19 . . . . 0.0 111.168 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.33 160.56 14.19 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.9 t -153.29 8.34 0.4 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -65.38 138.64 58.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.31 124.08 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.27 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.41 139.84 15.78 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.116 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.0 -19.77 64.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.518 0.199 . . . . 0.0 111.036 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.0 161.31 41.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.454 176.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.428 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.8 t-105 -57.95 -39.0 77.01 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -175.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.39 -47.02 82.78 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.457 0.17 . . . . 0.0 111.07 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.93 -35.55 78.74 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.168 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -68.89 -48.21 63.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.62 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.5 mt -59.62 -39.58 84.71 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -63.98 -43.99 94.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -61.88 -42.61 99.26 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 120.679 0.276 . . . . 0.0 110.774 176.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.87 -45.02 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.1 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.51 73.6 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.658 0.266 . . . . 0.0 111.114 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -89.25 -31.0 18.09 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.9 m -110.31 -20.15 12.73 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -169.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.383 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 120.887 0.375 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.25 123.33 49.08 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.226 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.36 139.06 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.797 -169.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.408 ' HA ' HD11 ' A' ' 122' ' ' LEU . 42.8 t -77.98 128.05 33.3 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.479 171.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -109.95 23.73 13.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.915 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.68 154.24 25.87 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 170.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.02 114.71 2.05 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 -172.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.13 8.04 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.643 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.56 -78.48 0.24 Allowed 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 120.687 0.279 . . . . 0.0 111.095 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.52 14.17 77.53 Favored Glycine 0 CA--C 1.554 2.491 0 CA-C-N 116.354 -0.384 . . . . 0.0 113.452 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.4 tttp -69.78 143.33 53.01 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 117.481 0.641 . . . . 0.0 110.626 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.06 137.81 54.53 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.896 0.379 . . . . 0.0 111.131 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.34 155.58 41.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.172 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -65.14 -40.95 95.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.021 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -132.49 145.47 51.19 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.804 0.335 . . . . 0.0 110.561 -173.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -63.62 -28.71 70.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.647 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -63.98 -31.58 72.82 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 122.209 -0.307 . . . . 0.0 111.053 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.15 -38.15 66.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.655 0.264 . . . . 0.0 110.677 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 107' ' ' CYS . 34.0 tp -59.95 -46.99 87.61 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.869 0.366 . . . . 0.0 110.466 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -57.05 -43.68 82.23 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.22 -41.23 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.424 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.2 t60 -68.69 -45.0 72.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.247 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.75 -31.83 73.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.451 0.167 . . . . 0.0 111.347 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -28.8 53.04 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.799 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.75 -46.99 70.54 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 122.46 -0.15 . . . . 0.0 111.218 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.47 -36.34 83.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.744 0.307 . . . . 0.0 111.024 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 68.5 p -82.06 -18.79 41.91 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.64 31.47 17.37 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.317 0.647 . . . . 0.0 111.858 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.52 155.3 45.98 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.8 mt -94.45 133.36 27.14 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 120.634 0.255 . . . . 0.0 111.265 -169.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.98 -36.71 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.53 2.153 . . . . 0.0 113.207 -171.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.514 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.57 94.09 5.94 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.518 -170.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -102.99 141.96 34.9 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.7 t -74.7 120.98 84.18 Favored Pre-proline 0 CA--C 1.565 1.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.472 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -92.36 5.41 3.45 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 C-N-CA 122.9 2.4 . . . . 0.0 113.163 -173.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -65.94 148.92 51.03 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.36 121.72 15.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.93 1.72 76.08 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.57 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.7 t -116.53 155.36 28.79 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.544 0.338 . . . . 0.0 110.646 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -153.54 14.94 0.5 Allowed 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.684 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -65.85 146.63 54.51 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.722 0.296 . . . . 0.0 110.497 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -133.4 150.85 51.79 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.572 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -134.16 160.37 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.08 -169.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.1 m -84.33 -28.31 27.16 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.571 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 124' ' ' VAL . 4.1 mm? -132.52 154.7 81.63 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-O 120.606 0.241 . . . . 0.0 110.546 -177.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.6 Cg_endo -66.91 -30.48 39.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.559 2.172 . . . . 0.0 112.424 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.0 p -61.15 -37.59 83.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -72.96 -40.85 64.99 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.66 -44.18 91.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.652 0.263 . . . . 0.0 110.635 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -54.99 -45.86 75.08 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.712 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.07 -30.45 69.65 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.154 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -69.11 -41.18 77.76 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.446 0.165 . . . . 0.0 110.963 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.84 -31.61 68.66 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.559 0.219 . . . . 0.0 110.881 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -59.82 -25.94 65.38 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.75 -42.39 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 120.721 0.296 . . . . 0.0 110.335 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.27 -30.05 60.32 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.332 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.86 -26.22 63.16 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 120.703 0.287 . . . . 0.0 110.812 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.97 169.95 43.85 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.534 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.07 94.8 44.95 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.49 145.99 13.48 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.502 2.135 . . . . 0.0 112.555 -171.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.5 t -74.28 142.0 45.28 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.025 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.12 13.12 1.83 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.315 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -66.03 -23.4 66.55 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -148.28 144.27 27.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.795 0.331 . . . . 0.0 110.571 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -65.08 -26.95 68.45 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.432 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 54.3 m -95.65 17.01 15.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.263 0.225 . . . . 0.0 111.302 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.78 160.09 14.53 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.99 6.55 0.38 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.29 138.26 58.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.752 0.311 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.3 t -128.35 123.78 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.288 170.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.96 139.52 15.81 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.138 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.19 -19.43 63.98 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.579 0.228 . . . . 0.0 111.092 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.97 160.82 41.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.843 0.354 . . . . 0.0 110.48 176.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.88 -38.85 76.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.283 -175.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.16 -47.57 80.86 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.437 0.161 . . . . 0.0 111.122 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.01 -35.31 78.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.144 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -68.54 -48.02 65.38 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.559 0.219 . . . . 0.0 110.618 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 38.1 mt -61.04 -39.93 91.67 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -63.9 -43.65 95.33 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.817 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.87 -41.98 98.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.74 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.9 t -63.22 -45.07 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.087 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.21 75.31 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.981 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.28 -27.71 20.38 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.35 -20.97 11.63 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -169.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -109.12 118.82 37.74 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.182 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.4 t -111.17 139.05 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.829 -168.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.7 128.1 33.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.544 170.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -110.07 24.22 13.31 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.78 153.63 28.03 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.69 114.72 1.99 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 120.78 0.324 . . . . 0.0 111.185 -172.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.8 t30 69.75 15.26 8.04 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.711 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.1 -78.42 0.25 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 120.746 0.308 . . . . 0.0 110.948 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.34 15.55 74.98 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 113.415 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.6 tttp -69.74 142.76 53.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.556 0.678 . . . . 0.0 110.498 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.98 138.06 54.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.899 0.38 . . . . 0.0 111.201 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.19 155.35 41.9 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.03 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -71.3 -35.3 71.22 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -130.85 150.57 51.96 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 120.925 0.393 . . . . 0.0 111.272 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -67.98 -28.77 67.73 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.767 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -64.83 -31.71 73.07 Favored 'General case' 0 CA--C 1.558 1.285 0 O-C-N 122.183 -0.323 . . . . 0.0 110.964 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -73.02 -37.23 67.0 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.715 0.293 . . . . 0.0 110.685 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.04 -47.11 87.2 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 120.701 0.286 . . . . 0.0 110.449 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -57.26 -44.1 83.62 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 148' ' ' LEU . 7.4 t -58.11 -41.18 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.414 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.8 t60 -68.99 -45.04 71.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.244 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.6 -31.81 73.05 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.84 -0.164 . . . . 0.0 111.389 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.82 52.93 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.828 175.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.0 t -67.6 -46.99 71.0 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 122.423 -0.173 . . . . 0.0 111.173 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.46 -36.34 83.87 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.029 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -81.69 -18.21 45.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.74 16.71 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.96 -175.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -131.03 156.0 45.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.229 169.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.63 131.54 29.23 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.009 -169.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -79.19 -38.1 0.46 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.502 2.134 . . . . 0.0 113.282 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.3 m-85 -95.74 94.49 7.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.474 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.21 142.97 30.01 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.865 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.16 120.71 82.72 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.51 4.63 5.01 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 C-N-CA 122.804 2.336 . . . . 0.0 113.195 -172.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.93 144.08 57.36 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.922 0.391 . . . . 0.0 111.049 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.42 109.38 3.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 106.78 -2.77 36.08 Favored Glycine 0 CA--C 1.545 1.927 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -108.01 155.74 20.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -145.13 12.15 1.38 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.27 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -65.33 144.02 57.38 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.665 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -133.33 150.36 51.86 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.395 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -134.05 158.24 44.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.923 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.7 p -83.04 -26.76 30.86 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.465 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.2 154.85 81.78 Favored Pre-proline 0 N--CA 1.476 0.841 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.3 Cg_endo -66.4 -31.76 42.07 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.8 m -64.48 -38.48 91.15 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.32 -41.77 84.76 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.74 -46.58 81.61 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.61 -37.07 82.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.042 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -69.8 -39.69 76.43 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.728 -0.214 . . . . 0.0 110.806 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -59.03 -33.8 71.17 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.723 0.297 . . . . 0.0 110.985 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.4 -31.27 67.53 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 120.697 0.284 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -59.55 -25.73 64.78 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.271 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.74 -42.0 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-O 120.605 0.241 . . . . 0.0 110.651 175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.05 -30.29 55.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.267 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.01 64.9 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.63 174.58 48.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.587 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.17 94.87 44.65 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.78 142.25 15.81 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 122.407 2.071 . . . . 0.0 112.361 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.48 141.37 50.21 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -141.98 12.01 2.02 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.628 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.08 -23.56 65.86 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.105 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -151.23 145.32 25.3 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.844 0.354 . . . . 0.0 110.739 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.77 -28.26 68.9 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.491 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -94.86 18.97 10.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.252 0.221 . . . . 0.0 111.127 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 t -114.47 135.08 54.5 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.18 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 30.4 m -136.09 16.49 3.25 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 142.11 58.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.645 0.259 . . . . 0.0 110.837 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.4 t -128.22 122.64 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 120.849 0.356 . . . . 0.0 110.369 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.53 132.65 11.22 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.12 -15.54 63.78 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 122.824 -0.221 . . . . 0.0 111.148 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.92 162.17 41.32 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 120.78 0.324 . . . . 0.0 110.359 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.447 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.7 t-105 -57.72 -40.5 79.72 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.333 -175.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.1 p -57.02 -47.63 80.41 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.18 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.87 -35.47 78.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.846 -0.161 . . . . 0.0 111.297 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -69.38 -48.08 62.25 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.652 0.263 . . . . 0.0 110.665 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.6 mt -59.99 -41.9 93.06 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.063 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -65.07 -41.55 94.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.977 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.84 -43.14 99.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.691 0.282 . . . . 0.0 110.706 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 t -62.23 -45.0 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.112 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.55 73.95 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.732 0.301 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -89.3 -30.09 18.7 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.931 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.39 -20.97 12.73 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -169.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.486 1.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.684 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -109.1 123.4 49.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.322 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.18 139.16 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -169.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.42 128.7 33.99 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.428 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.61 24.35 13.07 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.881 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.12 25.02 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.84 114.72 2.01 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 120.84 0.352 . . . . 0.0 111.246 -172.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.5 t30 69.76 15.07 8.06 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.89 -79.18 0.23 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.69 15.15 77.81 Favored Glycine 0 CA--C 1.556 2.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 113.421 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.2 tttp -70.57 143.31 51.61 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.495 0.648 . . . . 0.0 110.669 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.69 137.41 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.873 0.368 . . . . 0.0 111.121 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.23 156.24 40.58 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.224 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -65.39 -40.45 93.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.247 178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -133.92 147.26 51.07 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.769 0.319 . . . . 0.0 110.725 -172.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -63.06 -28.81 70.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.626 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -64.5 -31.91 73.32 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 122.445 -0.159 . . . . 0.0 111.02 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -73.09 -37.53 66.71 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.731 0.3 . . . . 0.0 110.82 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.47 -47.1 87.19 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.814 0.34 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -58.12 -41.11 82.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 148' ' ' LEU . 10.2 t -59.97 -41.23 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 176.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.8 t60 -69.16 -45.03 71.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.255 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.5 -31.82 73.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.431 0.158 . . . . 0.0 111.252 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.88 55.05 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.959 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 -46.62 69.24 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.407 -0.183 . . . . 0.0 111.232 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -64.07 -36.4 83.89 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.988 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.4 -18.68 41.08 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 31.68 17.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.383 0.673 . . . . 0.0 111.902 -175.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.56 156.42 44.86 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.384 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.48 131.38 31.13 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.924 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.51 -36.94 0.78 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.568 2.179 . . . . 0.0 113.345 -170.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.55 96.69 7.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.535 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.93 143.03 30.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.814 0.34 . . . . 0.0 110.932 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.7 t -76.06 120.8 83.26 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.469 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.24 4.74 4.6 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.827 2.351 . . . . 0.0 113.2 -173.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -65.84 149.25 50.47 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.137 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.91 121.69 15.22 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.45 0.2 79.85 Favored Glycine 0 CA--C 1.546 2.019 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.723 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.21 152.5 24.0 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.776 0.322 . . . . 0.0 110.685 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -145.92 11.7 1.24 Allowed 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.27 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 146.84 53.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.902 0.382 . . . . 0.0 110.749 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -132.88 152.96 51.78 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -133.75 157.53 45.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.07 -169.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 124' ' ' VAL . 5.1 p -80.9 -28.02 36.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.43 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -128.98 154.87 80.39 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-O 120.731 0.301 . . . . 0.0 110.849 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.8 Cg_endo -66.76 -34.93 29.64 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.363 2.042 . . . . 0.0 112.082 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.5 p -64.01 -34.71 78.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -72.92 -38.14 66.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.0 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.94 -46.42 78.25 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 172.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.01 -40.11 79.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -72.35 -36.91 68.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.989 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -59.01 -33.72 71.05 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.796 0.331 . . . . 0.0 110.926 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.38 -30.55 66.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.749 0.309 . . . . 0.0 110.694 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.53 -25.71 64.73 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.345 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.83 -42.32 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-O 120.669 0.271 . . . . 0.0 110.538 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -76.27 -29.31 57.38 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.19 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.01 64.91 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.623 0.249 . . . . 0.0 110.895 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.68 173.98 48.15 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.408 -0.36 . . . . 0.0 112.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -124.09 94.67 45.1 Favored Pre-proline 0 C--O 1.237 0.43 0 C-N-CA 122.53 0.332 . . . . 0.0 110.109 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.48 139.7 13.01 Favored 'Trans proline' 0 N--CA 1.441 -1.592 0 C-N-CA 122.239 1.959 . . . . 0.0 112.19 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.86 141.3 53.23 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.035 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -139.84 11.66 2.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.433 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -68.1 -21.92 64.93 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.081 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -149.19 141.45 24.08 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.408 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -68.36 -21.4 64.73 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.555 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 67.2 m -99.45 17.17 20.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.149 0.18 . . . . 0.0 111.31 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -92.78 159.55 15.35 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.1 p -149.36 2.54 0.56 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -65.37 138.49 58.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.728 0.299 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.5 t -128.24 120.63 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.233 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.16 136.89 14.88 Favored Glycine 0 N--CA 1.476 1.335 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.147 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -65.96 -19.09 65.75 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.722 -0.281 . . . . 0.0 111.068 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.08 162.09 41.09 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.906 0.384 . . . . 0.0 110.668 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.1 t-105 -57.74 -40.94 80.85 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.374 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.6 p -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.168 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.7 -33.37 75.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.346 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -71.01 -48.09 55.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.658 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 177' ' ' TRP . 71.2 mt -60.15 -41.4 92.67 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.03 -43.39 95.74 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.973 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -61.85 -40.23 94.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.28 -45.11 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.95 71.59 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.757 -0.202 . . . . 0.0 111.268 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.26 -43.03 11.26 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 5.9 t -94.11 -20.45 19.88 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -169.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 CA--C 1.55 0.95 0 CA-C-O 121.087 0.47 . . . . 0.0 110.72 178.664 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 120.773 0.321 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.16 123.1 48.66 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.31 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.1 t -111.09 139.15 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.602 -169.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.17 128.93 34.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.467 171.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -111.11 24.89 12.35 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -61.62 155.12 23.21 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.09 170.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.05 114.68 2.04 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.851 0.358 . . . . 0.0 111.166 -172.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.4 t30 69.76 15.0 8.06 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.2 t -85.59 -79.02 0.25 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 120.698 0.285 . . . . 0.0 110.983 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.68 15.13 75.54 Favored Glycine 0 CA--C 1.553 2.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.39 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.1 tttp -69.74 142.65 53.23 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 117.509 0.654 . . . . 0.0 110.573 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.53 136.95 54.92 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.986 0.422 . . . . 0.0 111.19 -173.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -126.05 156.75 39.47 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.009 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -137.98 153.75 49.41 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.757 0.313 . . . . 0.0 111.272 -169.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -63.65 -28.8 70.16 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -63.89 -36.93 85.56 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 122.415 -0.178 . . . . 0.0 110.948 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.05 -35.63 66.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.676 0.275 . . . . 0.0 110.723 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.7 tp -62.18 -47.19 85.59 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 120.743 0.306 . . . . 0.0 110.66 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -61.95 -38.35 88.16 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.784 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.607 HG21 HD23 ' A' ' 148' ' ' LEU . 7.9 t -60.02 -41.13 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.9 t60 -68.51 -44.89 73.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.188 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.45 -31.72 72.96 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.394 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.84 54.33 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 120.415 0.15 . . . . 0.0 110.81 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.1 t -67.91 -46.67 70.92 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.265 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.41 -36.4 84.02 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.023 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.8 p -82.15 -18.48 42.67 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.95 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.51 30.81 15.85 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.4 0.68 . . . . 0.0 111.97 -176.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.88 156.34 43.82 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.31 . . . . 0.0 110.333 169.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.4 mt -96.4 131.35 28.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -79.04 -36.93 0.62 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.604 2.203 . . . . 0.0 113.276 -171.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.1 m-85 -96.79 92.54 6.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.98 0.419 . . . . 0.0 110.668 -169.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.19 140.19 30.45 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.96 119.85 78.3 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.443 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.55 5.29 4.78 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 C-N-CA 122.854 2.369 . . . . 0.0 113.221 -173.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.17 147.04 54.18 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.8 118.79 10.16 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 93.89 1.48 65.41 Favored Glycine 0 CA--C 1.544 1.905 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.691 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.3 t -110.99 154.04 24.71 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.86 0.362 . . . . 0.0 110.699 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.55 13.4 1.36 Allowed 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.25 145.27 56.45 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.713 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -133.49 151.75 51.81 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -134.05 160.49 37.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.302 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.9 p -84.99 -22.28 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.497 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.607 HD23 HG21 ' A' ' 124' ' ' VAL . 17.8 mt -138.49 153.59 72.75 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 120.703 0.287 . . . . 0.0 110.883 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 31.6 Cg_endo -67.14 -30.58 37.98 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.521 2.147 . . . . 0.0 112.206 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.3 p -64.02 -39.01 93.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -37.48 66.96 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.05 -44.48 92.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 120.774 0.321 . . . . 0.0 110.705 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.09 -38.61 91.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.939 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.9 mtm-85 -69.84 -33.74 72.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.772 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.24 -36.38 83.89 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 120.579 0.228 . . . . 0.0 110.777 172.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.74 -31.58 68.44 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.713 0.292 . . . . 0.0 110.986 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.0 -25.67 65.46 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.153 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.8 t -61.79 -42.18 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-O 120.859 0.362 . . . . 0.0 110.294 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -77.08 -32.32 56.61 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.0 64.82 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.678 0.275 . . . . 0.0 110.925 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.1 169.71 39.55 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.47 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.09 94.78 44.92 Favored Pre-proline 0 N--CA 1.468 0.445 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.22 145.02 15.0 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 122.452 2.101 . . . . 0.0 112.64 -171.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.41 143.22 48.61 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.058 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -142.08 13.1 2.03 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.2 -22.07 64.83 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.119 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -150.43 145.16 25.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.55 -29.01 69.57 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.497 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 56.8 m -97.23 19.25 13.37 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.189 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.8 t -113.23 133.65 54.98 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.167 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.2 m -132.87 15.75 4.28 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.465 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.05 138.41 57.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 43.2 t -128.32 121.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.96 142.4 18.33 Favored Glycine 0 N--CA 1.478 1.438 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.169 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.71 -17.75 62.19 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.428 0.156 . . . . 0.0 111.264 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.28 160.12 42.87 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.02 -38.79 76.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.216 -175.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.1 p -57.65 -46.24 84.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.165 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.17 -34.06 76.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.266 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -69.82 -48.1 60.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.601 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 67.1 mt -60.24 -41.31 92.9 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.99 -42.62 97.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -61.9 -40.91 97.09 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.879 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 11.4 t -61.98 -45.09 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.093 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.53 69.7 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 120.609 0.242 . . . . 0.0 111.089 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -89.42 -43.95 10.51 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.591 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.6 m -97.45 -18.3 19.14 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.085 0.469 . . . . 0.0 110.786 179.752 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -109.07 123.96 50.0 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.311 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.9 139.17 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.444 -169.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.84 127.64 32.72 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.387 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -109.59 24.08 13.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.94 153.89 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.75 114.68 1.98 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.9 t30 69.74 15.2 8.06 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.676 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.3 t -84.9 -78.63 0.24 Allowed 'General case' 0 CA--C 1.561 1.373 0 CA-C-O 120.759 0.314 . . . . 0.0 111.016 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.95 77.21 Favored Glycine 0 CA--C 1.554 2.478 0 CA-C-N 116.407 -0.36 . . . . 0.0 113.474 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.0 tttp -70.08 143.14 52.53 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 117.45 0.625 . . . . 0.0 110.63 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.29 137.49 54.84 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 120.967 0.413 . . . . 0.0 111.124 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.17 151.51 47.23 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.041 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.49 -34.49 78.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.03 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -137.81 150.16 46.96 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.153 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -65.2 -28.47 69.41 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.836 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.7 78.43 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 122.253 -0.279 . . . . 0.0 110.551 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -73.15 -36.69 66.7 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.573 0.225 . . . . 0.0 110.696 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.83 -47.19 86.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.769 0.318 . . . . 0.0 110.518 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -59.79 -40.14 87.32 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.642 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 148' ' ' LEU . 5.9 t -60.8 -41.14 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.932 175.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.8 t60 -68.7 -45.07 72.57 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.65 0.262 . . . . 0.0 111.241 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.63 -31.75 72.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.342 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.89 54.06 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.449 0.166 . . . . 0.0 110.845 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.78 -46.73 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 122.403 -0.185 . . . . 0.0 111.236 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.49 -36.39 84.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.089 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.2 p -82.17 -18.63 42.11 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.43 31.51 17.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.39 0.676 . . . . 0.0 111.913 -175.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.65 155.78 45.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 169.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -95.47 132.57 27.35 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.18 -169.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.78 -37.11 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.584 2.19 . . . . 0.0 113.235 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -97.66 92.05 5.7 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 -169.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -96.2 140.93 30.19 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.5 t -73.9 120.66 82.38 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.455 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -88.99 6.08 4.75 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 122.838 2.359 . . . . 0.0 113.318 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.37 143.38 57.07 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.005 0.431 . . . . 0.0 110.997 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 103.42 1.58 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.8 -1.52 28.85 Favored Glycine 0 CA--C 1.545 1.945 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.506 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.73 157.96 16.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.794 0.33 . . . . 0.0 110.636 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -145.78 10.79 1.22 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.433 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.76 144.41 56.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.818 0.342 . . . . 0.0 110.756 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -135.19 153.3 52.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.376 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -134.04 158.19 44.19 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.977 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.0 p -82.15 -28.05 32.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.56 153.04 81.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.636 0.255 . . . . 0.0 110.597 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.2 Cg_endo -66.68 -28.5 44.16 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.551 2.168 . . . . 0.0 112.445 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.5 p -67.0 -37.77 84.81 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -37.08 69.62 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.792 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.7 tp -63.64 -43.8 95.72 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.718 0.294 . . . . 0.0 110.591 171.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.4 -42.07 81.55 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.88 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -37.74 86.15 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.914 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.41 -37.93 89.17 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.501 0.191 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.71 -31.32 68.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -59.72 -25.73 65.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.153 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.7 -41.91 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 120.741 0.305 . . . . 0.0 110.454 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -77.06 -30.68 55.65 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.268 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.9 -28.97 64.93 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 120.615 0.245 . . . . 0.0 110.949 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.49 170.66 40.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 116.404 -0.362 . . . . 0.0 112.33 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.08 94.75 45.0 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.6 145.19 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.488 2.125 . . . . 0.0 112.599 -171.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 142.3 44.42 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.1 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -145.22 13.46 1.42 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.466 172.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -62.72 -26.77 68.85 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.739 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -143.31 142.76 31.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.014 171.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.43 -20.39 63.78 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -96.05 17.16 16.08 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.35 0.26 . . . . 0.0 111.25 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.41 134.85 53.72 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.229 175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.0 m -130.95 15.73 5.21 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.532 -172.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.41 139.13 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.34 123.54 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.65 139.04 15.63 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 121.316 -0.468 . . . . 0.0 112.229 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.26 -24.61 67.95 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.175 0.19 . . . . 0.0 110.993 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.32 162.24 39.36 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.719 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.466 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.8 t-105 -58.55 -39.38 80.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.299 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -57.09 -48.07 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.432 0.158 . . . . 0.0 111.089 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.43 -34.44 76.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.239 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -68.63 -48.15 64.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.665 0.269 . . . . 0.0 110.673 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 177' ' ' TRP . 51.7 mt -60.54 -41.47 94.56 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -65.2 -40.87 94.78 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.978 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -61.83 -41.89 98.35 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.716 0.293 . . . . 0.0 110.682 175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.6 t -63.52 -45.01 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.185 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.86 76.74 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.819 0.342 . . . . 0.0 111.138 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -89.33 -23.87 22.14 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.4 t -116.73 -19.55 9.89 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -177.389 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.848 0.356 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -109.17 121.98 46.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.206 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.72 139.01 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.587 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.66 128.28 33.83 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.487 171.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 23.89 13.73 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.78 153.98 27.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 170.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.42 114.7 2.12 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.218 -171.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 69.7 15.02 8.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.732 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.1 t -83.92 -78.95 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 120.669 0.271 . . . . 0.0 111.047 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.18 14.1 79.21 Favored Glycine 0 CA--C 1.554 2.504 0 CA-C-N 116.386 -0.37 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.2 tttp -69.5 143.1 53.57 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 117.539 0.67 . . . . 0.0 110.609 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.12 136.12 54.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.894 0.378 . . . . 0.0 111.143 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.25 156.06 40.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.057 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.406 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.57 -32.28 58.05 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.023 -178.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.406 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.7 mmtp -123.53 146.32 48.19 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 120.887 0.375 . . . . 0.0 110.986 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -64.22 -28.5 69.78 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -63.84 -32.55 74.1 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.451 -0.156 . . . . 0.0 110.957 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.95 -38.22 66.84 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 120.594 0.235 . . . . 0.0 110.711 172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.885 0.374 . . . . 0.0 110.504 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.13 -41.08 87.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.73 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 148' ' ' LEU . 10.0 t -60.96 -41.15 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 80.1 t60 -67.72 -44.54 77.41 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.257 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.52 -31.87 73.16 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.296 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -28.8 52.89 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.827 -0.169 . . . . 0.0 110.925 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -68.17 -46.89 69.5 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.452 -0.155 . . . . 0.0 111.18 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.22 -36.34 83.76 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.795 0.331 . . . . 0.0 111.031 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.4 p -81.84 -18.47 43.8 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.76 32.33 17.29 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.326 0.65 . . . . 0.0 111.861 -175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.58 155.43 46.53 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.685 0.279 . . . . 0.0 110.318 169.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.0 mt -94.52 131.49 30.83 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.074 -170.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 135' ' ' TYR . 9.2 Cg_endo -78.26 -35.2 1.32 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.575 2.184 . . . . 0.0 113.202 -171.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 77.3 m-85 -101.54 92.38 4.87 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.491 -169.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -96.41 140.28 31.3 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.5 t -73.89 118.96 73.61 Favored Pre-proline 0 CA--C 1.563 1.447 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -89.95 5.16 4.63 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.801 2.334 . . . . 0.0 113.231 -172.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.92 147.52 53.24 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.975 0.417 . . . . 0.0 111.095 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.29 120.72 13.28 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.67 -2.19 72.89 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.638 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.6 t -106.04 152.49 23.3 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.44 12.21 1.52 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.36 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 144.72 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 120.831 0.348 . . . . 0.0 110.729 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.4 153.92 51.2 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.289 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -134.07 157.17 46.83 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.128 -169.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 p -83.69 -26.12 30.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.408 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -130.43 155.09 81.56 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.281 0.233 . . . . 0.0 110.647 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.0 Cg_endo -67.57 -34.0 26.97 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.36 2.04 . . . . 0.0 112.144 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 p -62.46 -35.59 79.78 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.097 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -72.92 -37.94 67.04 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.912 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.93 -45.42 81.92 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.81 0.338 . . . . 0.0 110.778 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -59.63 -39.18 83.46 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.008 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -70.44 -38.06 74.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.814 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -60.93 -33.82 73.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.668 0.271 . . . . 0.0 111.065 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.45 -31.1 67.46 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 120.802 0.334 . . . . 0.0 110.696 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -59.52 -25.74 64.74 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.264 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.9 -42.78 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.592 0.234 . . . . 0.0 110.671 175.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.03 -27.36 54.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.269 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.35 64.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.707 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.5 174.7 50.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.529 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.14 94.73 44.91 Favored Pre-proline 0 C--O 1.236 0.359 0 C-N-CA 122.477 0.311 . . . . 0.0 110.231 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.14 140.41 13.99 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 122.205 1.937 . . . . 0.0 112.317 -174.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -70.98 142.01 51.01 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -142.77 12.5 1.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.83 -23.33 66.02 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.62 144.84 25.5 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.792 0.33 . . . . 0.0 110.613 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.71 -27.45 68.34 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.485 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.3 m -95.51 19.71 10.59 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.142 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.66 134.73 54.84 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.224 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.0 m -134.45 15.73 3.72 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.467 -172.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.19 141.86 57.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.642 0.258 . . . . 0.0 110.915 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.31 122.32 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 120.847 0.356 . . . . 0.0 110.409 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.39 133.42 11.82 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.115 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.06 -17.01 64.42 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 122.865 -0.197 . . . . 0.0 111.197 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.24 163.02 39.82 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.842 0.353 . . . . 0.0 110.491 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.424 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.4 t-105 -57.59 -41.13 80.59 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.326 -176.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.4 p -57.09 -46.56 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.419 0.152 . . . . 0.0 111.198 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.95 -34.51 77.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.262 -175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -70.14 -48.06 59.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.614 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 177' ' ' TRP . 62.0 mt -59.75 -41.82 91.85 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.85 0.357 . . . . 0.0 110.815 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.88 -43.63 95.44 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.91 -41.7 98.22 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.77 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.86 -45.03 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.052 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.82 78.41 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.075 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.35 -28.64 19.68 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.77 -20.87 12.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -169.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 . . . . . 0 N--CA 1.483 1.225 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.858 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 CA-C-O 120.755 0.312 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -109.16 124.09 50.27 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.35 139.09 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.612 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.91 128.95 34.74 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.507 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -111.1 24.33 13.02 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.36 154.74 23.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.23 114.73 2.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -171.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.65 15.18 8.16 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.678 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.6 t -84.79 -78.94 0.23 Allowed 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 120.69 0.281 . . . . 0.0 111.005 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.2 78.91 Favored Glycine 0 CA--C 1.555 2.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 113.508 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.33 143.58 51.94 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.447 0.623 . . . . 0.0 110.656 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.58 137.32 54.93 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.803 0.335 . . . . 0.0 111.216 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -126.18 156.85 39.52 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.284 -174.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.3 -39.56 92.67 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.06 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -134.67 148.64 50.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -62.9 -28.65 70.2 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.483 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -63.95 -33.72 76.35 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 122.428 -0.17 . . . . 0.0 110.947 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -73.0 -36.42 67.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.66 0.266 . . . . 0.0 110.814 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.11 -47.1 86.13 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -58.5 -40.69 83.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.682 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 148' ' ' LEU . 10.8 t -59.39 -41.22 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.4 t60 -70.09 -45.01 67.87 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.181 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -66.3 -31.74 72.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.278 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.78 54.81 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.909 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.29 -46.47 70.23 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 122.474 -0.141 . . . . 0.0 111.262 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.39 83.94 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.092 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.2 p -82.91 -19.53 37.13 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.992 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 30.37 18.3 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 123.292 0.637 . . . . 0.0 111.999 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -128.92 156.25 44.02 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 169.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -95.39 132.13 28.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.171 -170.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.83 -36.1 0.86 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.559 2.173 . . . . 0.0 113.306 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.37 97.11 7.9 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.528 -169.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.58 138.43 40.94 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.3 t -73.87 121.29 84.81 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.413 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.98 4.88 3.72 Favored 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 122.847 2.365 . . . . 0.0 113.27 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -64.96 147.12 54.01 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.928 0.394 . . . . 0.0 111.121 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.39 120.67 13.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 91.88 -0.84 73.67 Favored Glycine 0 CA--C 1.545 1.955 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.639 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.6 t -110.53 155.14 22.71 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.85 0.357 . . . . 0.0 110.654 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -148.4 14.47 0.98 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 142.89 58.24 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 120.845 0.355 . . . . 0.0 110.682 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -134.59 149.71 50.63 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.11 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -133.06 158.5 42.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.396 -169.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.9 p -84.45 -27.17 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.421 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.657 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.37 155.88 79.37 Favored Pre-proline 0 N--CA 1.482 1.138 0 C-N-CA 122.289 0.236 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 17.9 Cg_endo -66.57 -36.14 26.89 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.284 1.989 . . . . 0.0 112.123 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.4 m -62.34 -34.39 76.56 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.714 0.292 . . . . 0.0 111.069 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -73.09 -36.86 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.959 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.73 -44.99 76.31 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.656 0.265 . . . . 0.0 110.66 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -57.12 -36.51 70.75 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 120.606 0.241 . . . . 0.0 110.812 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.32 -43.45 77.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.861 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -58.98 -34.02 71.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.321 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.57 -31.3 67.88 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 122.347 -0.221 . . . . 0.0 110.949 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -59.67 -26.63 65.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.099 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.77 -40.75 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 120.651 0.262 . . . . 0.0 110.833 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -77.21 -35.03 55.96 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.234 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.02 64.72 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 120.609 0.243 . . . . 0.0 111.102 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.26 174.86 47.65 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 112.661 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -124.28 94.73 44.66 Favored Pre-proline 0 C--O 1.235 0.311 0 C-N-CA 122.605 0.362 . . . . 0.0 110.353 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.31 141.36 16.03 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.307 2.004 . . . . 0.0 112.385 -174.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.46 140.61 48.37 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 12.16 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.421 174.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.91 -22.27 65.96 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.167 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.59 147.04 26.95 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.88 -29.35 69.77 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -96.39 19.12 12.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.607 0.242 . . . . 0.0 111.217 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.72 131.53 56.15 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 69.0 p -134.04 14.67 3.9 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -172.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.99 142.43 51.18 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.817 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 120.24 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.887 0.375 . . . . 0.0 110.295 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.63 133.13 11.6 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.047 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -15.5 61.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 122.755 -0.262 . . . . 0.0 111.374 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.96 163.23 39.7 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.755 0.312 . . . . 0.0 110.341 176.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 30.7 t-105 -57.21 -40.35 77.3 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.5 p -57.94 -47.97 81.32 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.32 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.21 -34.59 76.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.223 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.86 -47.99 60.55 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.563 0.221 . . . . 0.0 110.738 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 177' ' ' TRP . 44.0 mt -60.04 -41.34 92.06 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.987 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -64.03 -42.87 96.96 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.89 -42.1 98.68 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.683 0.278 . . . . 0.0 110.763 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.97 -45.01 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.061 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.68 -33.46 75.68 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.004 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.27 -26.77 20.99 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.02 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 4.4 t -113.16 -21.68 10.9 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.561 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 120.841 0.353 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.04 123.04 48.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.309 -176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.4 139.11 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.657 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.404 ' HA ' HD11 ' A' ' 122' ' ' LEU . 46.0 t -77.59 129.45 35.64 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.447 171.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -111.49 24.52 12.69 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.869 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.11 25.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.0 114.75 2.06 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.884 0.374 . . . . 0.0 111.222 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.1 t30 69.75 15.16 8.06 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.69 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.28 -78.87 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.679 0.276 . . . . 0.0 110.967 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.53 14.44 77.53 Favored Glycine 0 CA--C 1.553 2.459 0 CA-C-N 116.368 -0.378 . . . . 0.0 113.375 174.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.5 tttp -70.27 143.04 52.22 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 117.528 0.664 . . . . 0.0 110.608 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.27 137.86 54.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -173.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -126.09 151.1 47.66 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.061 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 117' ' ' LYS . 26.2 ttpt -63.84 -34.43 77.91 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -137.0 147.44 46.26 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.861 0.362 . . . . 0.0 111.312 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -63.92 -28.84 70.1 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.637 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -63.94 -34.81 78.81 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 122.406 -0.183 . . . . 0.0 110.994 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.16 -36.11 66.56 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.629 0.252 . . . . 0.0 110.707 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 107' ' ' CYS . 32.7 tp -60.11 -47.17 87.01 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 120.676 0.274 . . . . 0.0 110.457 175.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.59 -43.79 84.91 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.656 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.593 HG21 HD23 ' A' ' 148' ' ' LEU . 12.4 t -58.69 -41.09 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.947 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.6 t60 -68.41 -45.07 73.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.551 0.215 . . . . 0.0 111.145 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.06 -31.81 73.21 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.471 0.176 . . . . 0.0 111.349 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.82 53.84 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.828 175.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -67.91 -47.0 69.99 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.393 -0.192 . . . . 0.0 111.327 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.16 -36.43 84.04 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.805 0.336 . . . . 0.0 111.065 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.7 p -81.79 -18.42 44.16 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.99 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.81 32.35 17.45 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.336 0.654 . . . . 0.0 111.843 -175.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.25 155.79 45.71 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.7 mt -95.61 132.58 27.16 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 120.656 0.265 . . . . 0.0 111.139 -169.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -79.09 -36.78 0.65 Allowed 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.56 2.174 . . . . 0.0 113.265 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 84.8 m-85 -99.48 93.64 5.99 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.482 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -100.88 142.52 32.23 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.91 0.386 . . . . 0.0 111.031 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.89 122.99 88.9 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.513 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.68 4.22 3.49 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 122.811 2.341 . . . . 0.0 113.439 -171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -70.43 150.89 45.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.997 0.427 . . . . 0.0 111.014 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.35 134.61 52.94 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 80.37 2.62 89.52 Favored Glycine 0 CA--C 1.55 2.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.733 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -118.93 152.17 36.81 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.834 0.35 . . . . 0.0 110.704 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.24 15.9 0.82 Allowed 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.276 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -65.02 148.19 52.1 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.705 0.288 . . . . 0.0 110.646 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -134.5 151.89 51.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.05 160.12 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.09 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.4 p -86.2 -18.35 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 124' ' ' VAL . 21.1 mt -140.47 153.04 68.0 Favored Pre-proline 0 N--CA 1.472 0.663 0 CA-C-O 120.764 0.316 . . . . 0.0 111.098 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 27.6 Cg_endo -66.98 -33.79 31.34 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.716 2.277 . . . . 0.0 112.409 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.0 p -63.8 -37.45 87.42 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -72.44 -39.13 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.987 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.57 -45.73 91.56 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.16 -38.37 79.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.944 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.26 -40.61 81.86 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.856 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -61.0 -33.89 73.94 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -58.41 -31.08 67.38 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 110.695 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.35 -25.74 64.47 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.084 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.78 -42.79 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-O 120.609 0.242 . . . . 0.0 110.47 175.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.05 -30.73 55.77 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.324 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -28.92 64.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.48 169.92 37.44 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.295 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.07 94.73 45.05 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.87 144.93 13.95 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.45 2.1 . . . . 0.0 112.634 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 140.7 49.96 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.111 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -142.04 12.3 2.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.538 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -68.27 -23.0 64.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.15 145.3 26.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.802 0.334 . . . . 0.0 110.722 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -27.13 67.55 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.53 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.6 m -97.25 20.43 11.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.311 0.244 . . . . 0.0 111.128 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.5 t -116.53 134.48 54.8 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.223 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.2 m -133.7 16.32 3.96 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.504 -172.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.72 140.3 57.58 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.666 0.269 . . . . 0.0 110.83 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.31 123.62 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.424 170.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.7 140.35 15.91 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 121.276 -0.487 . . . . 0.0 112.113 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -67.63 -19.96 65.28 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 122.873 -0.193 . . . . 0.0 111.078 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.19 162.61 39.65 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.644 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.417 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.8 t-105 -57.15 -40.5 77.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.387 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.9 p -57.6 -46.02 84.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.079 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.75 -36.04 81.77 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.258 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -68.84 -48.04 64.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.64 0.257 . . . . 0.0 110.686 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 177' ' ' TRP . 34.9 mt -61.09 -39.64 90.71 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -63.99 -43.14 96.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.98 -42.79 99.53 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.795 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -62.83 -45.06 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.153 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.71 72.94 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.907 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -89.32 -31.02 18.01 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.057 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 79.5 m -110.4 -19.85 12.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -169.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.169 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 120.863 0.363 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -109.19 122.78 48.05 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.312 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.6 139.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.634 -169.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.4 127.64 32.9 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.482 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.71 23.93 13.75 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.2 t80 -61.35 153.87 25.55 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 170.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.95 114.68 2.02 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 69.71 15.09 8.1 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.727 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.82 -78.43 0.23 Allowed 'General case' 0 CA--C 1.563 1.467 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.97 13.21 79.23 Favored Glycine 0 CA--C 1.553 2.464 0 CA-C-N 116.35 -0.387 . . . . 0.0 113.433 174.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.48 143.27 51.78 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.462 0.631 . . . . 0.0 110.555 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.08 137.24 54.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.977 0.418 . . . . 0.0 111.104 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -126.1 151.34 47.35 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.066 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.92 -34.03 76.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.091 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -137.16 148.72 46.79 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.38 -172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -65.33 -28.72 69.5 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.523 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.38 -38.74 92.08 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.506 0.194 . . . . 0.0 110.797 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -72.97 -34.1 66.27 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.667 0.27 . . . . 0.0 110.639 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.67 -47.08 85.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -61.86 -37.33 84.1 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.722 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 148' ' ' LEU . 5.3 t -60.52 -41.2 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 175.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 72.9 t60 -68.31 -44.93 74.3 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.644 0.259 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -64.47 -31.74 73.08 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.362 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -28.81 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 116.804 -0.18 . . . . 0.0 110.799 175.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.1 t -67.77 -47.14 70.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.264 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 94.6 m-70 -64.06 -36.37 83.78 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.002 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.7 p -81.66 -18.0 46.08 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.12 32.72 16.33 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.306 0.642 . . . . 0.0 111.942 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -130.6 156.15 45.35 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.7 mt -96.79 132.01 26.89 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.147 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.8 Cg_endo -79.91 -38.67 0.34 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.501 2.134 . . . . 0.0 113.304 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.6 m-85 -93.66 93.41 8.02 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.491 -170.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.01 143.12 28.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.776 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 39.6 t -74.03 121.12 84.45 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.349 175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -88.62 4.25 5.57 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.27 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -63.95 143.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.988 0.423 . . . . 0.0 111.044 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.68 113.94 5.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -0.67 55.33 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.547 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.4 t -106.87 157.63 17.62 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.799 0.333 . . . . 0.0 110.655 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 11.52 0.91 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.445 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.05 146.73 54.02 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.754 0.311 . . . . 0.0 110.665 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 36.9 mtp85 -135.04 150.84 50.36 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.491 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -134.02 159.18 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -169.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -85.61 -19.54 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.542 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 124' ' ' VAL . 19.2 mt -143.67 153.77 58.59 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.2 Cg_endo -64.68 -24.97 61.8 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.4 p -66.53 -40.98 89.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.536 0.335 . . . . 0.0 111.217 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.03 -35.27 66.72 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.082 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.91 -44.2 90.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.653 0.263 . . . . 0.0 110.55 171.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -54.89 -44.67 74.33 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.892 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -40.52 91.5 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.752 176.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.15 -39.21 91.85 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.501 0.191 . . . . 0.0 111.277 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -31.51 68.3 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.579 0.228 . . . . 0.0 110.823 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -59.73 -25.84 65.16 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.152 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.77 -42.58 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.736 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -76.94 -30.17 55.94 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.283 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.06 65.04 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.71 174.93 50.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.554 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.18 94.84 44.69 Favored Pre-proline 0 C--O 1.237 0.438 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.83 142.42 15.83 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.356 2.037 . . . . 0.0 112.338 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.7 t -73.65 142.48 46.48 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -142.74 13.23 1.9 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.569 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.68 -22.65 65.28 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.6 144.83 25.52 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.873 0.368 . . . . 0.0 110.686 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.75 -26.46 67.74 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.467 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.0 m -97.65 20.31 12.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.259 0.223 . . . . 0.0 111.132 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 13.0 t -115.14 134.51 55.1 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.26 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.7 m -134.05 16.51 3.83 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.437 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.33 141.7 58.16 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.648 0.261 . . . . 0.0 110.883 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.35 122.37 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 120.884 0.373 . . . . 0.0 110.266 170.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.86 131.45 10.4 Favored Glycine 0 N--CA 1.471 0.999 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.054 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -64.11 -18.04 64.03 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 120.617 0.246 . . . . 0.0 111.238 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 161.43 42.1 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.82 0.343 . . . . 0.0 110.337 176.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.442 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.2 -39.87 80.11 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.345 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.1 p -56.94 -47.4 80.75 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.497 0.189 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.94 -34.57 76.35 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.273 -175.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.05 -48.04 59.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.59 0.234 . . . . 0.0 110.56 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 177' ' ' TRP . 53.1 mt -60.19 -41.47 93.01 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -69.93 -36.86 75.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.546 0.213 . . . . 0.0 110.714 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.74 -44.99 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.04 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.21 -31.7 73.0 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.13 -176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -89.17 -36.6 15.59 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.716 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.1 t -101.24 -22.65 14.59 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -169.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 CA--C 1.551 0.989 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -177.483 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.723 0 CA-C-O 120.774 0.321 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -109.11 122.14 46.64 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.263 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.96 139.08 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.872 -168.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.412 ' HA ' HD11 ' A' ' 122' ' ' LEU . 53.7 t -78.48 130.12 35.67 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.493 170.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -112.34 24.25 12.76 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.37 152.95 28.11 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.92 114.76 2.05 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 111.319 -171.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.83 15.07 7.98 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.726 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.75 -78.82 0.24 Allowed 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 120.705 0.288 . . . . 0.0 111.039 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.11 78.69 Favored Glycine 0 CA--C 1.552 2.405 0 CA-C-N 116.409 -0.36 . . . . 0.0 113.448 173.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.9 tttp -70.89 143.66 50.92 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.471 0.635 . . . . 0.0 110.693 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.47 136.63 54.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.857 0.361 . . . . 0.0 111.14 -173.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -126.19 155.67 41.4 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.146 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.408 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.14 -31.92 58.84 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -178.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.4 mmtp -124.04 146.57 48.47 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 120.778 0.323 . . . . 0.0 111.07 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -65.37 -28.63 69.41 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.531 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.99 -32.42 73.95 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 122.327 -0.233 . . . . 0.0 110.902 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -71.89 -37.84 70.08 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.523 0.202 . . . . 0.0 110.634 171.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 107' ' ' CYS . 33.1 tp -61.01 -47.1 88.0 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 176.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.32 -43.57 83.43 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.662 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG21 HD13 ' A' ' 148' ' ' LEU . 2.7 t -59.4 -41.29 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.003 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 81.1 t60 -68.79 -44.61 73.22 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.099 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.12 -36.42 81.7 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -54.95 -33.26 62.13 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 176.085 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -63.76 -34.95 79.03 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 122.454 -0.154 . . . . 0.0 111.409 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.78 -36.25 59.85 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 44.4 p -80.81 -20.84 41.61 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 53.25 30.84 10.62 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.392 0.677 . . . . 0.0 112.013 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -124.63 145.52 49.59 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 44.5 mt -91.98 130.83 36.97 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-O 120.822 0.344 . . . . 0.0 111.417 -168.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -77.2 -35.7 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.661 2.241 . . . . 0.0 113.149 -171.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -98.16 91.33 5.21 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.393 -170.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -94.81 141.57 28.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.86 120.16 79.85 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -92.74 5.87 3.21 Favored 'Trans proline' 0 CA--C 1.55 1.316 0 C-N-CA 122.811 2.341 . . . . 0.0 113.274 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -73.78 147.67 43.23 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.01 0.433 . . . . 0.0 111.066 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.21 126.85 29.06 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.48 79.41 Favored Glycine 0 CA--C 1.545 1.951 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.739 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -115.24 152.87 31.91 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -143.58 17.2 1.84 Allowed 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 146.89 53.32 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.821 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -137.09 149.89 47.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 120.826 0.346 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -134.05 157.8 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.114 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 p -83.86 -27.19 28.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.488 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 124' ' ' VAL . 3.3 mm? -132.19 156.94 79.5 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 122.369 0.267 . . . . 0.0 110.354 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 28.5 Cg_endo -66.94 -27.56 42.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.349 2.033 . . . . 0.0 112.287 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.5 p -61.89 -43.04 99.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.704 0.288 . . . . 0.0 110.988 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -39.44 83.93 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp -67.02 -47.17 72.25 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.707 0.289 . . . . 0.0 110.87 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -58.94 -37.29 76.37 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -72.45 -37.49 68.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.989 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -63.16 -33.97 76.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.301 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.57 -30.33 67.07 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.578 0.227 . . . . 0.0 110.777 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.39 -25.8 64.58 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.201 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.79 -42.48 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.732 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -76.87 -28.23 55.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.166 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.682 0.277 . . . . 0.0 110.837 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.53 173.43 48.19 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.512 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.11 94.64 45.11 Favored Pre-proline 0 C--O 1.236 0.381 0 C-N-CA 122.482 0.313 . . . . 0.0 110.237 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.92 140.0 12.45 Favored 'Trans proline' 0 N--CA 1.443 -1.455 0 C-N-CA 122.265 1.977 . . . . 0.0 112.226 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 t -70.87 141.71 51.22 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -142.97 12.44 1.83 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.421 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.01 -22.9 65.88 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -149.21 145.0 26.91 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 -28.11 69.48 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.383 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -93.41 13.99 19.92 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.429 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.71 158.02 15.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 120.676 0.274 . . . . 0.0 110.322 173.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.6 p -152.23 6.79 0.44 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.25 141.21 58.71 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.699 0.285 . . . . 0.0 110.984 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.26 122.17 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 169.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.06 134.13 12.37 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.092 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.83 -16.28 64.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 122.847 -0.208 . . . . 0.0 111.235 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 163.09 39.53 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 120.869 0.366 . . . . 0.0 110.503 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.43 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.1 t-105 -57.67 -41.5 81.69 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.285 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.7 p -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.449 0.166 . . . . 0.0 111.219 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.93 -36.0 80.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.286 -175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -69.24 -47.98 63.18 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.56 0.219 . . . . 0.0 110.598 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.8 mt -59.72 -40.67 88.74 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.689 0.28 . . . . 0.0 110.988 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -66.01 -42.39 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.043 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -61.9 -42.06 98.63 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.705 0.288 . . . . 0.0 110.559 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 8.1 t -62.91 -45.03 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.048 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.63 84.01 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.069 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.26 -22.64 22.61 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.13 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -116.99 -21.59 8.85 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.227 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 120.847 0.355 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.15 123.38 49.11 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.14 139.02 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.664 -169.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.9 t -77.85 128.02 33.31 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.481 171.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -110.18 24.25 13.25 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.91 153.93 27.71 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.88 114.73 2.02 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -172.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.08 8.06 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.51 -78.94 0.25 Allowed 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 120.739 0.304 . . . . 0.0 110.935 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.39 15.97 77.26 Favored Glycine 0 CA--C 1.553 2.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.459 174.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.26 142.68 52.28 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.467 0.634 . . . . 0.0 110.599 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.41 136.88 54.99 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.933 0.397 . . . . 0.0 111.194 -173.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.21 156.13 40.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.951 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.45 -44.39 97.2 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.011 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -139.17 155.74 47.62 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -171.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -63.75 -28.65 70.03 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.12 -169.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.8 85.08 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 122.285 -0.259 . . . . 0.0 110.696 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.01 -35.74 66.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.766 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.15 -47.2 85.6 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.59 0.233 . . . . 0.0 110.552 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -61.02 -38.64 86.81 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.73 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.619 HG21 HD23 ' A' ' 148' ' ' LEU . 11.0 t -60.22 -41.31 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.425 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.14 -44.98 71.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.244 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -65.82 -31.77 72.92 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.426 0.155 . . . . 0.0 111.291 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.8 54.92 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.103 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.6 p -69.63 -40.83 76.32 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.379 -0.201 . . . . 0.0 111.399 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.73 -36.42 78.4 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -82.29 -18.79 41.1 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.0 30.54 16.34 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.331 0.652 . . . . 0.0 111.978 -176.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -128.94 157.08 42.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.391 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 41.9 mt -96.5 131.19 28.82 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 120.644 0.259 . . . . 0.0 111.316 -169.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -78.63 -37.5 0.65 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.5 2.133 . . . . 0.0 113.326 -170.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -96.72 95.48 7.95 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.866 0.365 . . . . 0.0 110.623 -169.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.23 142.93 29.29 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.37 122.09 86.1 Favored Pre-proline 0 CA--C 1.564 1.486 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -91.42 5.17 3.92 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.862 2.375 . . . . 0.0 113.23 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -63.77 143.66 57.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.37 107.44 2.42 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.94 -1.55 33.67 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.523 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -112.43 157.49 20.99 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -149.85 13.01 0.79 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.56 -176.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -66.57 149.1 50.97 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.744 0.307 . . . . 0.0 110.808 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -133.29 152.19 51.92 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 64.6 m-85 -134.1 163.99 28.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.414 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.6 m -84.99 -25.31 27.82 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.696 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 124' ' ' VAL . 17.3 mt -136.73 154.78 76.71 Favored Pre-proline 0 N--CA 1.473 0.702 0 CA-C-O 120.692 0.282 . . . . 0.0 111.015 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.5 Cg_endo -66.08 -34.97 35.64 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.527 2.151 . . . . 0.0 112.162 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 89.1 p -64.7 -34.28 77.93 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.005 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -39.15 67.46 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.8 tp -66.18 -45.38 81.07 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.759 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.83 -39.18 77.07 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -68.97 -37.72 78.96 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.898 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 79.6 t60 -63.37 -38.78 92.48 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.48 0.181 . . . . 0.0 111.112 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.75 -31.28 68.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.611 0.243 . . . . 0.0 110.609 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -59.63 -25.7 64.88 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.075 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 34.4 t -61.71 -42.38 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.35 -30.96 57.83 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.178 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.91 -29.08 65.04 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 120.644 0.259 . . . . 0.0 111.08 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.28 168.45 38.85 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 112.411 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.05 144.92 15.2 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.43 2.087 . . . . 0.0 112.493 -172.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -71.75 140.16 49.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.022 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.69 12.02 2.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.466 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -68.26 -21.88 64.79 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.21 143.8 25.22 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.29 -27.67 68.79 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.358 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 63.9 m -98.27 16.86 20.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.272 0.229 . . . . 0.0 111.27 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.87 162.42 15.47 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 171.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.5 p -149.87 0.76 0.48 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -65.3 136.56 56.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.731 0.3 . . . . 0.0 111.185 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.33 120.66 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.223 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.19 141.5 18.37 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.249 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.01 -21.25 65.05 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.523 0.201 . . . . 0.0 111.14 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.54 161.08 41.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 120.937 0.398 . . . . 0.0 110.734 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.0 t-105 -57.89 -40.09 79.44 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.328 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.7 p -57.4 -45.16 84.82 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.095 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.34 -33.72 76.15 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.359 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.71 -48.14 49.29 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 110.682 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 60.8 mt -60.32 -40.0 89.03 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -65.42 -42.15 92.81 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -61.88 -40.36 95.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.718 0.294 . . . . 0.0 110.667 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.6 t -61.59 -44.97 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.152 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.73 71.7 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.786 0.326 . . . . 0.0 111.024 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.14 -28.79 19.81 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.868 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.0 m -114.34 -17.41 11.81 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.625 0.25 . . . . 0.0 111.519 -177.704 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.853 0.359 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -109.11 123.16 48.74 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.351 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.91 138.98 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.694 -169.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.71 128.39 33.98 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.489 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -110.38 24.18 13.32 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.63 154.74 24.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.71 114.77 2.2 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-O 120.85 0.357 . . . . 0.0 111.15 -171.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.9 t30 69.71 15.11 8.11 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.727 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.81 -78.65 0.24 Allowed 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.13 13.63 79.35 Favored Glycine 0 CA--C 1.555 2.531 0 CA-C-N 116.29 -0.414 . . . . 0.0 113.431 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.65 143.21 53.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 117.516 0.658 . . . . 0.0 110.693 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.81 136.96 55.04 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.901 0.381 . . . . 0.0 111.156 -173.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -126.2 155.93 41.01 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.252 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -64.64 -40.39 95.37 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -134.15 148.02 50.88 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 -172.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -61.77 -28.65 69.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.505 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.87 -35.03 79.31 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 122.409 -0.182 . . . . 0.0 110.925 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -73.08 -37.0 66.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.61 0.243 . . . . 0.0 110.735 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.66 -47.16 86.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.836 0.35 . . . . 0.0 110.472 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.71 -40.71 84.5 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.734 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.669 HG21 HD13 ' A' ' 148' ' ' LEU . 9.6 t -60.16 -41.19 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.838 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.0 t60 -69.16 -45.05 70.98 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.573 0.225 . . . . 0.0 111.268 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -65.89 -31.73 72.83 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.354 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -28.82 54.11 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 120.427 0.156 . . . . 0.0 110.879 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -67.91 -46.82 70.48 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 122.402 -0.186 . . . . 0.0 111.227 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.37 83.89 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.769 0.318 . . . . 0.0 111.011 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.27 -18.59 41.86 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.88 30.8 16.56 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.358 0.663 . . . . 0.0 112.0 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -129.43 155.93 44.9 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.339 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.2 mt -95.6 132.48 27.37 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-O 120.677 0.275 . . . . 0.0 111.108 -169.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.69 -36.48 0.83 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.475 2.117 . . . . 0.0 113.206 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.45 94.09 6.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.914 0.387 . . . . 0.0 110.6 -169.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.15 139.49 33.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.634 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.2 t -73.91 121.01 84.15 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.606 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.59 4.34 4.0 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.801 2.334 . . . . 0.0 113.449 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -69.09 147.59 51.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 127.98 33.86 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.748 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.14 -0.04 83.44 Favored Glycine 0 CA--C 1.547 2.082 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.658 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.7 149.63 32.65 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -141.06 12.48 2.22 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -65.88 145.69 55.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -134.15 152.74 51.97 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -134.09 157.92 44.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.95 -169.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 p -82.38 -27.41 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.419 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.669 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.63 155.23 80.62 Favored Pre-proline 0 N--CA 1.477 0.912 0 O-C-N 123.081 0.238 . . . . 0.0 110.783 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 23.0 Cg_endo -67.3 -34.76 26.29 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.442 2.095 . . . . 0.0 112.068 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.9 p -62.24 -35.32 78.57 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.08 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -73.01 -37.58 66.89 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.036 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.74 -46.74 74.47 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.729 0.299 . . . . 0.0 110.75 173.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.5 81.1 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.843 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -69.5 -40.83 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.889 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.89 -33.77 72.27 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.032 174.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.42 -31.2 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 120.561 0.22 . . . . 0.0 110.887 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -59.57 -25.7 64.79 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.262 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.85 -41.24 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.705 0.288 . . . . 0.0 110.598 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -77.11 -32.67 56.7 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.287 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.02 64.93 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.7 0.286 . . . . 0.0 111.0 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.79 174.13 48.06 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.61 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.545 0.338 . . . . 0.0 110.244 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.95 142.21 15.48 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.356 2.037 . . . . 0.0 112.39 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.45 140.22 49.95 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -139.75 11.7 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.29 -20.8 63.9 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.125 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -151.29 145.42 25.33 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.831 0.348 . . . . 0.0 110.667 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.61 -27.58 68.5 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.554 -175.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -98.99 20.13 13.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.561 0.22 . . . . 0.0 111.194 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.6 t -114.48 130.31 56.72 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.174 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -131.48 15.66 4.96 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.536 -171.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.66 141.58 56.62 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.603 0.24 . . . . 0.0 110.918 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.5 t -128.36 122.37 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-O 120.846 0.355 . . . . 0.0 110.346 170.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.72 133.22 11.63 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.114 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -66.8 -15.03 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 122.754 -0.262 . . . . 0.0 111.297 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 162.28 40.97 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.841 0.353 . . . . 0.0 110.411 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 29.9 t-105 -57.64 -39.78 77.76 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.275 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.8 p -58.19 -46.69 85.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.477 0.18 . . . . 0.0 111.186 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.88 -35.26 79.42 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.264 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -69.33 -48.18 62.2 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.553 0.216 . . . . 0.0 110.622 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 177' ' ' TRP . 39.6 mt -60.62 -40.93 93.71 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.651 0.263 . . . . 0.0 110.975 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.92 -44.08 93.98 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.8 -45.11 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.084 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.92 71.61 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.795 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.24 -22.85 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.056 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 -19.02 6.17 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -169.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.564 0.221 . . . . 0.0 111.58 -178.084 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -109.27 122.81 48.15 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.438 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.83 139.03 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.485 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -79.43 128.35 33.24 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.523 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.48 24.06 13.45 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.948 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.18 154.68 22.67 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.197 170.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.41 114.76 1.95 Allowed 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.762 0.315 . . . . 0.0 111.162 -172.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.8 15.08 8.01 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.616 174.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.0 t -85.16 -78.22 0.26 Allowed 'General case' 0 CA--C 1.565 1.536 0 CA-C-O 120.651 0.262 . . . . 0.0 111.071 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.82 14.49 73.01 Favored Glycine 0 CA--C 1.553 2.461 0 CA-C-N 116.383 -0.372 . . . . 0.0 113.457 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.3 tttp -70.13 144.56 52.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 117.457 0.629 . . . . 0.0 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.93 136.56 54.91 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.35 160.03 31.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.12 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -61.48 -47.08 87.27 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.232 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -137.3 156.85 47.76 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -60.6 -28.34 68.42 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.542 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -63.7 -37.23 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 122.291 -0.255 . . . . 0.0 110.777 178.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.09 -37.77 66.62 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.683 0.277 . . . . 0.0 110.68 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.41 -47.09 87.36 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.837 0.351 . . . . 0.0 110.575 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.63 -37.18 80.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 148' ' ' LEU . 11.2 t -62.71 -41.23 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.9 t60 -69.5 -45.01 69.92 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.212 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.5 -31.8 73.07 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.195 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.86 55.04 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.806 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -69.22 -46.31 67.7 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.361 -0.212 . . . . 0.0 111.204 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -63.88 -36.27 83.38 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.071 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 74.0 p -83.24 -19.89 35.57 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 31.83 20.64 Favored 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 123.291 0.637 . . . . 0.0 111.896 -175.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.62 156.37 45.0 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 169.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -94.56 131.97 29.76 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-O 120.659 0.266 . . . . 0.0 111.038 -170.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.4 Cg_endo -78.82 -36.69 0.74 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.551 2.167 . . . . 0.0 113.266 -171.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 78.4 m-85 -100.87 94.05 5.84 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.549 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -100.81 141.76 33.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.06 121.06 84.29 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.489 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.57 5.52 3.77 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.857 2.371 . . . . 0.0 113.313 -172.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -68.41 151.97 46.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.939 0.4 . . . . 0.0 111.042 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.74 130.75 44.19 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.966 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.21 2.25 90.39 Favored Glycine 0 CA--C 1.549 2.18 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.767 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.9 t -114.48 150.95 34.03 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.844 0.354 . . . . 0.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -148.15 15.27 1.04 Allowed 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.23 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.02 146.21 53.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.752 0.311 . . . . 0.0 110.619 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -134.34 152.62 51.91 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.355 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -134.04 158.75 42.76 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.977 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 p -83.09 -27.97 29.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.47 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -128.99 155.84 79.06 Favored Pre-proline 0 N--CA 1.48 1.03 0 CA-C-O 120.61 0.243 . . . . 0.0 110.695 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.3 Cg_endo -67.14 -33.77 30.31 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.376 2.051 . . . . 0.0 112.164 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.4 p -62.37 -35.76 80.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.718 0.294 . . . . 0.0 111.062 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -73.08 -37.14 66.89 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.87 -45.64 77.48 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 172.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -58.15 -39.54 79.06 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.867 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -69.89 -40.16 75.84 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.969 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.12 -33.7 71.18 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.43 -30.99 67.32 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.593 0.235 . . . . 0.0 110.847 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -59.43 -25.86 64.69 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.153 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -43.13 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 120.608 0.242 . . . . 0.0 110.776 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -77.09 -29.69 55.07 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.294 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.83 -26.99 63.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 120.742 0.306 . . . . 0.0 110.777 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.28 173.66 49.84 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.403 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -124.06 94.68 45.15 Favored Pre-proline 0 C--O 1.236 0.365 0 C-N-CA 122.478 0.311 . . . . 0.0 110.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.8 142.1 13.9 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.347 2.032 . . . . 0.0 112.332 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.19 139.31 48.15 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.053 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.5 11.78 2.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.439 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.46 -21.76 64.61 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.42 143.33 24.73 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.34 -23.71 66.4 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.589 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.8 m -101.56 22.04 13.36 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.593 0.235 . . . . 0.0 111.115 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.64 132.01 56.76 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.148 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.1 m -131.8 16.15 4.78 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.509 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -62.09 141.32 58.19 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.661 0.267 . . . . 0.0 110.85 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.3 123.09 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 170.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.43 133.32 11.71 Favored Glycine 0 N--CA 1.472 1.094 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.996 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.33 -14.79 63.24 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.74 -0.271 . . . . 0.0 111.213 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.67 42.21 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.752 0.31 . . . . 0.0 110.367 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.37 -40.22 77.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.277 -176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 p -57.66 -47.01 83.47 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.863 -0.153 . . . . 0.0 111.198 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.18 -35.47 78.94 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.415 0.15 . . . . 0.0 111.199 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.46 -48.23 61.48 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.646 0.26 . . . . 0.0 110.648 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 43.0 mt -60.09 -40.98 91.5 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -63.97 -43.79 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -61.96 -42.89 99.63 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.866 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.9 t -62.11 -45.09 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.124 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.31 -32.46 73.89 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 120.717 0.294 . . . . 0.0 110.984 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.17 -28.66 19.86 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.925 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.02 -20.21 12.05 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.485 1.278 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.213 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.824 0.345 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -109.09 124.53 50.92 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.306 -176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.01 139.11 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.986 0.422 . . . . 0.0 111.628 -169.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.2 t -77.8 127.02 31.74 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.397 171.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -109.08 23.82 14.0 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.944 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.1 t80 -61.73 153.38 28.52 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.94 114.71 2.03 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 120.855 0.359 . . . . 0.0 111.159 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 69.75 14.98 8.08 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.69 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.8 t -84.63 -79.63 0.22 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 120.674 0.273 . . . . 0.0 110.977 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.45 15.22 80.46 Favored Glycine 0 CA--C 1.555 2.573 0 CA-C-N 116.354 -0.385 . . . . 0.0 113.455 173.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.8 tttp -71.09 143.35 50.68 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 117.498 0.649 . . . . 0.0 110.688 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.24 137.51 54.86 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.85 0.357 . . . . 0.0 111.166 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -126.2 154.68 42.92 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.273 -174.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -66.93 -37.97 85.3 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.313 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -135.63 148.98 49.2 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.697 0.284 . . . . 0.0 110.803 -173.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -66.31 -28.97 69.09 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -170.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -30.42 71.42 Favored 'General case' 0 CA--C 1.552 1.05 0 O-C-N 122.379 -0.201 . . . . 0.0 110.78 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -73.16 -37.55 66.54 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 120.59 0.233 . . . . 0.0 110.683 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.95 -47.13 86.25 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.693 0.282 . . . . 0.0 110.492 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.27 -39.32 86.41 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.851 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.2 -41.17 82.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 175.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.416 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.7 t60 -69.53 -44.99 69.85 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.214 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -66.34 -31.87 72.92 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.334 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.9 55.08 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.888 175.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.74 -46.56 71.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 122.481 -0.137 . . . . 0.0 111.197 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 95.3 m-70 -64.77 -36.3 83.87 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 120.839 0.352 . . . . 0.0 111.142 178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 p -82.34 -18.85 40.7 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 30.41 16.94 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 123.342 0.657 . . . . 0.0 111.955 -176.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.99 156.45 43.78 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 120.617 0.246 . . . . 0.0 110.378 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.71 131.27 28.4 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.095 -169.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -79.04 -37.88 0.51 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.587 2.191 . . . . 0.0 113.288 -170.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.462 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.48 97.56 9.53 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 120.756 0.312 . . . . 0.0 110.6 -169.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.36 142.98 31.09 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 120.833 0.349 . . . . 0.0 110.948 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.95 121.24 84.63 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.23 4.74 4.61 Favored 'Trans proline' 0 CA--C 1.551 1.357 0 C-N-CA 122.851 2.368 . . . . 0.0 113.188 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.93 146.45 54.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.022 0.439 . . . . 0.0 111.009 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.54 118.44 9.47 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 94.27 0.08 65.73 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.602 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -109.75 155.83 21.08 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 120.854 0.359 . . . . 0.0 110.701 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -148.03 13.53 1.0 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.152 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -66.07 144.77 56.5 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.724 0.297 . . . . 0.0 110.732 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -131.84 151.82 51.42 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -133.97 160.21 38.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.13 -169.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.8 p -83.42 -29.18 28.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.516 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.662 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.72 155.02 81.03 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 120.607 0.241 . . . . 0.0 110.8 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.6 Cg_endo -66.33 -36.85 26.01 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.447 2.098 . . . . 0.0 112.145 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 55.6 m -65.92 -31.34 72.21 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.042 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -72.54 -39.19 67.71 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.889 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.4 tp -66.13 -44.82 83.14 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -55.62 -42.32 74.74 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.831 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -42.11 90.59 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.727 176.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.26 -36.97 79.02 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-O 120.621 0.248 . . . . 0.0 111.185 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -58.72 -31.53 68.37 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 120.727 0.298 . . . . 0.0 110.842 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -59.78 -25.77 65.18 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.287 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.476 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.7 t -61.73 -40.89 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-O 120.659 0.266 . . . . 0.0 110.596 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -76.94 -30.14 55.94 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.24 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -73.05 -29.07 62.7 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-O 120.672 0.272 . . . . 0.0 110.957 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.3 173.61 47.35 Favored Glycine 0 CA--C 1.537 1.42 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.7 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.14 94.76 44.88 Favored Pre-proline 0 C--O 1.235 0.306 0 C-N-CA 122.684 0.394 . . . . 0.0 110.173 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.63 140.56 14.96 Favored 'Trans proline' 0 N--CA 1.445 -1.354 0 C-N-CA 122.295 1.996 . . . . 0.0 112.183 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.88 143.22 52.86 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -142.34 12.13 1.95 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.542 174.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -67.06 -23.37 65.86 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 177.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -148.63 144.05 26.94 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 120.915 0.388 . . . . 0.0 110.553 177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -64.85 -28.05 69.29 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.42 -175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.1 m -96.96 17.19 17.46 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.204 0.202 . . . . 0.0 111.326 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.01 159.03 15.35 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.0 p -149.93 3.8 0.54 Allowed 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -64.69 139.68 58.79 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.683 0.278 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.29 120.32 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.181 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.84 134.7 12.86 Favored Glycine 0 N--CA 1.473 1.118 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.122 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -67.05 -14.81 63.26 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 122.813 -0.228 . . . . 0.0 111.357 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 161.3 42.92 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.838 0.352 . . . . 0.0 110.486 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.3 t-105 -58.13 -40.03 80.26 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.292 -176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -56.96 -47.05 81.65 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.016 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.28 -33.84 75.42 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.323 -175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -70.11 -48.19 58.62 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.594 0.235 . . . . 0.0 110.553 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 65.8 mt -60.06 -42.04 93.65 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -66.58 -39.41 88.44 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -61.93 -41.37 97.87 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.62 0.248 . . . . 0.0 110.804 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 t -61.6 -45.09 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.87 73.13 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.172 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -89.22 -39.05 13.79 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.745 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.83 -18.88 16.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -169.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -133.8 38.99 3.19 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 120.967 0.413 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -32.78 68.84 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.4 t70 . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 120.969 0.414 . . . . 0.0 110.848 179.667 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 C4'-C3'-C2' 99.045 -3.655 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.051 0 C4'-C3'-C2' 99.643 -3.057 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 1 C4'-C3'-C2' 98.682 -4.018 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.59 -3.11 . 0.952 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.476 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.539 2.265 0 O5'-C5'-C4' 115.471 3.765 . 0.351 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.504 1 C3'-C2'-C1' 105.252 4.169 . 0.659 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 P-O3'-C3' 123.985 3.571 . 0.576 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 1 C3'-C2'-C1' 97.074 -4.917 . 0.677 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 C4'-C3'-C2' 99.369 -3.331 . 0.696 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 C4'-C3'-C2' 99.792 -2.908 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-O4' 114.796 3.997 . 0.266 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 0 C5'-C4'-C3' 110.747 -3.169 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 C3'-C2'-C1' 99.406 -2.327 . 0.185 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.556 0 O5'-C5'-C4' 114.705 3.218 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.888 0 C5'-C4'-O4' 113.928 3.377 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 98.933 -3.767 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.09 1 C4'-C3'-C2' 98.693 -4.007 . 0.751 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . 0.402 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.269 0 C4'-C3'-C2' 99.355 -3.345 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.244 1 C4'-C3'-C2' 98.206 -4.494 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.862 1 C4'-C3'-C2' 98.55 -4.15 . 0.543 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 99.061 -3.639 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 100.096 -2.604 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C5'-C4'-C3' 109.5 -4.0 . 0.548 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-O4' 114.22 3.586 . 0.248 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C3'-C2'-C1' 96.928 -5.08 . 0.362 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.066 1 C3'-C2'-C1' 97.382 -4.575 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 P-O3'-C3' 124.093 3.66 . 0.708 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.79 0 C4'-C3'-C2' 99.916 -2.784 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 C4'-C3'-C2' 99.206 -3.494 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C4'-C3'-C2' 99.063 -3.637 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.33 0 C5'-C4'-O4' 112.752 2.537 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C4'-C3'-C2' 99.243 -3.457 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.145 0 C3'-C2'-C1' 102.881 1.534 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 O5'-C5'-C4' 112.768 1.834 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 O5'-C5'-C4' 113.961 2.687 . 0.726 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 P-O3'-C3' 123.011 2.759 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.076 1 C4'-C3'-C2' 96.948 -5.752 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.53 1 C5'-C4'-O4' 115.401 4.429 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 1 C4'-C3'-C2' 98.282 -4.418 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.666 0 C4'-C3'-C2' 98.986 -3.714 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 0 C4'-C3'-C2' 100.271 -2.429 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.889 0 C5'-C4'-C3' 112.308 -2.128 . 0.957 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.643 0 P-O3'-C3' 123.013 2.761 . 0.174 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.013 0 C4'-C3'-C2' 99.483 -3.217 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 C4'-C3'-C2' 98.733 -3.967 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 C4'-C3'-C2' 98.44 -4.26 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C4'-C3'-C2' 98.781 -3.919 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.829 -3.871 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.88 1 C4'-C3'-C2' 98.497 -4.203 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.895 0 C4'-C3'-C2' 99.261 -3.439 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.076 0 O4'-C4'-C3' 110.043 3.245 . 0.536 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C5'-C4'-C3' 110.933 -3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 1 C4'-C3'-C2' 98.69 -4.01 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.958 0 C4'-C3'-C2' 98.877 -3.823 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.981 -2.719 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.934 0.397 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.18 123.77 49.76 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.252 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.16 139.11 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.904 -169.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.417 ' HA ' HD11 ' A' ' 122' ' ' LEU . 43.8 t -79.07 130.56 35.64 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.458 170.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -112.37 24.61 12.35 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.944 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.22 154.91 22.2 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.111 170.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.37 114.77 2.13 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.884 0.373 . . . . 0.0 111.131 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.88 14.95 7.94 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.674 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 52.0 t -84.18 -78.46 0.24 Allowed 'General case' 0 CA--C 1.562 1.427 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.24 13.32 76.69 Favored Glycine 0 CA--C 1.554 2.521 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.394 174.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -69.44 143.79 53.48 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.546 0.673 . . . . 0.0 110.644 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.54 138.5 54.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -126.24 156.62 40.0 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HE2' ' HZ1' ' A' ' 118' ' ' LYS . 73.5 tttt -65.53 -41.16 93.4 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.126 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HZ1' ' HE2' ' A' ' 117' ' ' LYS . 12.7 mmtp -133.18 146.14 51.25 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.757 0.313 . . . . 0.0 110.707 -173.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -63.22 -28.62 70.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -63.94 -32.7 74.33 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 122.267 -0.271 . . . . 0.0 110.838 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -73.01 -37.39 66.97 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.651 0.263 . . . . 0.0 110.641 172.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.7 tp -60.82 -47.11 87.85 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 120.652 0.263 . . . . 0.0 110.519 176.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -59.1 -41.53 88.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.723 174.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.648 HG21 HD23 ' A' ' 148' ' ' LEU . 9.5 t -60.19 -41.23 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 176.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 74.9 t60 -67.3 -44.57 78.89 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.62 0.247 . . . . 0.0 111.133 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.99 -31.72 73.0 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.283 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -28.87 52.41 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.814 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t -68.36 -47.19 68.08 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.412 -0.18 . . . . 0.0 111.22 176.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.68 -36.34 83.54 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.3 p -81.93 -18.09 44.83 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.94 17.1 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 123.318 0.647 . . . . 0.0 111.849 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.91 155.87 46.02 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.251 169.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 37.0 mt -95.06 132.52 27.92 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.105 -169.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.7 Cg_endo -78.72 -36.87 0.73 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.509 2.139 . . . . 0.0 113.243 -171.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.2 m-85 -99.57 91.75 5.04 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.923 0.392 . . . . 0.0 110.476 -170.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -98.39 143.03 29.29 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.87 120.21 80.1 Favored Pre-proline 0 CA--C 1.562 1.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.495 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -92.14 5.8 3.47 Favored 'Trans proline' 0 CA--C 1.551 1.362 0 C-N-CA 122.873 2.382 . . . . 0.0 113.317 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -73.91 150.62 40.75 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.054 0.454 . . . . 0.0 110.941 -176.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.82 133.83 52.8 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.12 3.35 90.68 Favored Glycine 0 CA--C 1.55 2.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.803 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.8 t -120.26 152.86 37.16 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -149.85 16.85 0.88 Allowed 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.423 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -64.45 149.59 48.19 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.545 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 -135.23 151.35 50.52 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-O 120.881 0.372 . . . . 0.0 110.476 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -134.08 159.51 40.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.083 -169.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.6 p -88.05 -15.6 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 -174.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.648 HD23 HG21 ' A' ' 124' ' ' VAL . 17.2 mt -142.34 154.18 63.63 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.71 0.29 . . . . 0.0 111.031 178.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.5 Cg_endo -65.9 -31.65 46.99 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.57 2.18 . . . . 0.0 112.42 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 p -63.85 -38.26 90.45 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.783 0.325 . . . . 0.0 110.996 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.43 -39.05 71.29 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.868 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.2 -46.35 87.42 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.772 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -61.0 -37.51 82.78 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -69.45 -34.0 73.75 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.483 0.182 . . . . 0.0 110.853 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -68.8 -37.96 79.61 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 120.53 0.205 . . . . 0.0 111.135 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -58.59 -31.14 67.75 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 120.656 0.265 . . . . 0.0 110.895 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -59.46 -25.71 64.63 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.084 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.449 HG22 " H2'" ' B' ' 5' ' ' ' C' . 48.3 t -61.74 -42.75 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-O 120.641 0.258 . . . . 0.0 110.512 175.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -74.9 -29.39 60.97 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.321 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.98 63.5 Favored 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.823 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 91.68 170.41 41.9 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 116.398 -0.365 . . . . 0.0 112.475 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -124.19 94.8 44.73 Favored Pre-proline 0 CA--C 1.538 0.497 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.15 145.42 17.25 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.477 2.118 . . . . 0.0 112.597 -171.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.59 138.28 46.71 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.019 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.25 12.75 3.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.537 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -67.94 -23.03 65.02 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.088 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -151.82 145.46 24.97 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 120.863 0.363 . . . . 0.0 110.667 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.86 -27.22 68.06 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.451 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 88.0 p -93.63 16.37 13.99 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.395 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.2 t -113.07 136.61 52.51 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.256 175.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.9 m -134.22 16.08 3.79 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.437 -173.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.8 139.78 58.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.616 0.246 . . . . 0.0 110.799 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.7 t -128.42 123.05 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.419 170.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.39 139.63 16.17 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 121.234 -0.507 . . . . 0.0 112.057 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -69.45 -17.72 63.66 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 122.878 -0.189 . . . . 0.0 111.093 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.96 161.51 41.75 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 120.908 0.385 . . . . 0.0 110.444 175.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.422 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -57.66 -40.2 78.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.429 -174.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.6 p -57.29 -45.45 84.1 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.094 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.278 -176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -69.08 -48.24 63.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.644 0.259 . . . . 0.0 110.617 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 177' ' ' TRP . 52.5 mt -60.97 -41.06 95.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.887 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.4 -41.56 96.59 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -61.83 -42.45 99.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.8 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 14.5 t -61.87 -45.08 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.017 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.88 74.33 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -89.22 -32.59 17.36 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.882 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.1 m -107.32 -19.72 13.5 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.01 6.23 5.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -139.93 10.72 2.41 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 120.575 0.226 . . . . 0.0 111.061 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.987 0.423 . . . . 0.0 110.827 178.189 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.064 0 C4'-C3'-C2' 99.603 -3.097 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C4'-C3'-C2' 99.548 -3.152 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C4'-C3'-C2' 99.083 -3.617 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 100.056 -2.644 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.449 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.543 2.525 0 O3'-P-O5' 109.399 2.842 . 0.306 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.91 1 O4'-C4'-C3' 111.478 4.27 . 0.605 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 1 P-O3'-C3' 124.533 4.027 . 0.58 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C3'-C2'-C1' 97.933 -3.964 . 0.663 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 0 C4'-C3'-C2' 99.067 -3.633 . 0.708 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 0 C4'-C3'-C2' 99.95 -2.75 . 0.93 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 1 C5'-C4'-O4' 115.315 4.368 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.632 0 C5'-C4'-C3' 109.916 -3.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.452 0 C3'-C2'-C1' 99.663 -2.041 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 0 O5'-C5'-C4' 114.541 3.101 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.82 0 C5'-C4'-O4' 114.205 3.575 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 98.832 -3.868 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.987 1 C4'-C3'-C2' 98.13 -4.57 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.42 0 C4'-C3'-C2' 99.149 -3.551 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.208 0 C4'-C3'-C2' 98.919 -3.781 . 0.934 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 1 C4'-C3'-C2' 98.188 -4.512 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 1 C4'-C3'-C2' 98.393 -4.307 . 0.441 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 O5'-C5'-C4' 113.467 2.334 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 1 C5'-C4'-C3' 108.101 -4.933 . 0.822 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C5'-C4'-O4' 112.822 2.587 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.877 2 C3'-C2'-C1' 95.148 -7.058 . 0.644 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.815 0 O4'-C1'-C2' 100.866 -3.953 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 1 P-O3'-C3' 124.639 4.116 . 0.732 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.721 0 C4'-C3'-C2' 100.076 -2.624 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.247 0 C4'-C3'-C2' 99.247 -3.453 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 98.954 -3.746 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-O4' 112.869 2.621 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C4'-C3'-C2' 99.289 -3.411 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.113 0 C3'-C2'-C1' 102.89 1.545 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 0 O5'-C5'-C4' 112.772 1.837 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O5'-C5'-C4' 113.887 2.633 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 P-O3'-C3' 123.014 2.762 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 1 C4'-C3'-C2' 96.964 -5.736 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.552 1 C5'-C4'-O4' 115.332 4.38 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 C4'-C3'-C2' 98.276 -4.424 . 0.509 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.989 0 O5'-C5'-C4' 114.757 3.255 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.441 -3.259 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C4'-C3'-C2' 100.69 -2.01 . 0.923 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.026 0 O5'-C5'-C4' 114.657 3.183 . 0.188 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.954 0 C4'-C3'-C2' 99.524 -3.176 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.078 -3.622 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 C4'-C3'-C2' 98.743 -3.957 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 C4'-C3'-C2' 98.575 -4.125 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 98.82 -3.88 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.764 1 C4'-C3'-C2' 98.576 -4.124 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.033 0 C4'-C3'-C2' 99.491 -3.209 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 O4'-C4'-C3' 109.741 3.029 . 0.588 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.642 0 C5'-C4'-C3' 111.133 -2.912 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 98.967 -3.733 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.03 0 C4'-C3'-C2' 99.104 -3.596 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C4'-C3'-C2' 99.858 -2.842 . 0.873 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.07 122.8 48.04 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.39 -175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -109.0 139.07 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.755 -169.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.1 t -78.69 129.38 34.64 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.495 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 m-70 -111.3 24.77 12.44 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.88 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.27 154.43 23.7 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.67 114.74 1.99 Allowed 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.7 t30 69.78 15.09 8.04 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.712 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.41 -78.82 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.764 0.316 . . . . 0.0 110.945 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.48 13.52 77.49 Favored Glycine 0 CA--C 1.554 2.488 0 CA-C-N 116.316 -0.402 . . . . 0.0 113.43 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.6 tttp -70.58 143.87 51.41 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 117.448 0.624 . . . . 0.0 110.638 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.0 54.58 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.847 0.356 . . . . 0.0 111.111 -173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -126.26 156.51 40.22 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.259 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -63.83 -41.23 97.89 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.305 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -134.68 148.52 50.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.735 -171.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -64.56 -28.9 69.95 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.642 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -65.24 -33.85 76.97 Favored 'General case' 0 CA--C 1.557 1.237 0 O-C-N 122.342 -0.224 . . . . 0.0 110.835 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -73.05 -35.55 66.74 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.0 tp -61.68 -47.1 86.88 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 120.682 0.277 . . . . 0.0 110.484 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -56.9 -41.93 79.01 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.738 173.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.614 HG21 HD23 ' A' ' 148' ' ' LEU . 11.6 t -59.14 -41.22 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-O 120.738 0.304 . . . . 0.0 111.054 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.2 t60 -68.3 -45.05 74.06 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-O 120.574 0.225 . . . . 0.0 111.246 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -64.86 -31.74 73.11 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.818 -0.174 . . . . 0.0 111.332 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.89 53.48 Favored 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.811 175.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -67.92 -47.14 69.57 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 122.441 -0.162 . . . . 0.0 111.242 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -63.98 -36.33 83.63 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.6 p -81.85 -18.31 44.32 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.043 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.79 32.32 17.32 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.338 0.655 . . . . 0.0 111.891 -175.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.3 155.82 45.68 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 169.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.3 mt -95.71 132.42 27.36 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-O 120.686 0.279 . . . . 0.0 111.079 -169.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -78.97 -37.06 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 113.222 -171.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 85.4 m-85 -98.94 92.71 5.65 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.514 -170.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -98.8 142.99 29.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.9 t -73.81 121.06 84.25 Favored Pre-proline 0 CA--C 1.563 1.462 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.379 173.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.96 4.86 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.889 2.393 . . . . 0.0 113.167 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -66.1 151.3 47.18 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 120.938 0.399 . . . . 0.0 111.162 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.26 128.65 36.7 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.34 5.0 90.33 Favored Glycine 0 CA--C 1.548 2.103 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.713 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -115.12 153.05 31.48 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 120.82 0.343 . . . . 0.0 110.713 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.28 19.36 0.75 Allowed 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.138 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.52 143.24 57.99 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.726 0.298 . . . . 0.0 110.269 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -134.17 150.76 51.11 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.549 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.07 157.57 45.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.087 -169.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -84.58 -18.11 36.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.539 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.614 HD23 HG21 ' A' ' 124' ' ' VAL . 20.4 mt -140.98 154.41 68.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.0 Cg_endo -66.73 -29.73 42.43 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.608 2.205 . . . . 0.0 112.287 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.3 p -66.89 -37.74 84.96 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -70.6 -38.2 73.96 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.883 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.23 -43.77 93.93 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.681 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -39.98 78.37 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.879 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -42.03 90.38 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.8 -0.182 . . . . 0.0 110.809 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.41 -37.06 82.1 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.522 0.201 . . . . 0.0 111.346 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -58.71 -31.25 68.08 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 120.608 0.242 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.61 -25.82 64.96 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.145 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.481 HG22 " H2'" ' B' ' 5' ' ' ' C' . 22.0 t -61.8 -43.32 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.587 0.232 . . . . 0.0 110.652 175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -77.01 -30.55 55.89 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.288 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.04 64.94 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 120.654 0.264 . . . . 0.0 110.812 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.11 173.33 48.63 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 116.374 -0.375 . . . . 0.0 112.55 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.18 94.85 44.68 Favored Pre-proline 0 C--O 1.236 0.391 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.48 141.59 15.9 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 122.338 2.025 . . . . 0.0 112.34 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -69.89 140.67 53.18 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -142.48 12.38 1.93 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.417 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -67.71 -23.31 65.27 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -148.19 144.28 27.62 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.834 0.349 . . . . 0.0 110.684 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.28 -27.87 68.94 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.479 -175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -96.25 17.29 16.13 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.291 -177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -96.72 159.11 15.1 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 172.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.7 p -151.67 4.81 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -64.86 141.14 58.88 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.699 0.285 . . . . 0.0 111.062 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.7 t -128.25 122.66 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.266 169.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.91 133.24 11.65 Favored Glycine 0 N--CA 1.474 1.186 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.027 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -66.99 -15.57 63.81 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 122.779 -0.248 . . . . 0.0 111.182 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.4 160.9 43.04 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.839 0.352 . . . . 0.0 110.405 175.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.445 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.9 t-105 -58.0 -39.26 77.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -175.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.8 p -57.09 -47.39 81.14 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.159 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.0 -34.9 77.04 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.373 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -69.29 -48.12 62.55 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.542 0.211 . . . . 0.0 110.594 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.478 HD22 " H4'" ' B' ' 9' ' ' ' C' . 47.1 mt -59.93 -41.63 92.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 120.695 0.283 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -64.45 -42.4 95.98 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.979 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -61.95 -42.11 98.74 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.703 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.0 t -61.72 -44.9 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.078 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-O 120.675 0.274 . . . . 0.0 111.154 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -89.28 -28.27 20.0 Favored 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.99 -19.94 12.16 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -169.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -134.43 11.53 3.79 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -143.9 175.1 10.27 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.732 0.301 . . . . 0.0 110.63 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.484 1.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 -179.409 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.915 0 C4'-C3'-C2' 99.145 -3.555 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.494 -3.206 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.857 -3.843 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.691 -3.009 . 0.956 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.481 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 2.338 1 O5'-C5'-C4' 115.901 4.072 . 0.334 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.511 1 O5'-C5'-C4' 116.212 4.294 . 0.7 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 P-O3'-C3' 123.121 2.851 . 0.585 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 1 C3'-C2'-C1' 97.424 -4.529 . 0.684 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.478 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.43 -1.922 0 C4'-C3'-C2' 99.349 -3.351 . 0.685 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.959 0 C4'-C3'-C2' 99.873 -2.827 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 1 C5'-C4'-O4' 115.168 4.263 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 0 C5'-C4'-C3' 109.93 -3.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.48 0 C3'-C2'-C1' 99.938 -1.736 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 0 C5'-C4'-C3' 110.373 -3.418 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.916 0 C5'-C4'-C3' 109.96 -3.693 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C4'-C3'-C2' 98.947 -3.753 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 1 C4'-C3'-C2' 98.621 -4.079 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.393 0 C4'-C3'-C2' 100.011 -2.689 . 0.924 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 1 C5'-C4'-O4' 115.015 4.154 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.744 0 C4'-C3'-C2' 98.854 -3.846 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.943 0 C4'-C3'-C2' 99.013 -3.687 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 0 C4'-C3'-C2' 100.373 -2.327 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 C5'-C4'-C3' 109.499 -4.001 . 0.711 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 C5'-C4'-O4' 114.265 3.618 . 0.336 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 2 C3'-C2'-C1' 95.543 -6.618 . 0.399 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.887 0 C4'-C3'-C2' 99.115 -3.585 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 P-O3'-C3' 124.389 3.907 . 0.729 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.744 0 P-O3'-C3' 122.826 2.605 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.231 0 C4'-C3'-C2' 99.335 -3.365 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 99.059 -3.641 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 0 C5'-C4'-O4' 112.795 2.568 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 C4'-C3'-C2' 99.277 -3.423 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.065 0 C3'-C2'-C1' 102.878 1.531 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.575 0 O5'-C5'-C4' 112.719 1.799 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O5'-C5'-C4' 113.979 2.699 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 P-O3'-C3' 123.076 2.813 . 0.359 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.988 1 C4'-C3'-C2' 96.896 -5.804 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.4 1 C5'-C4'-O4' 115.323 4.373 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 1 C4'-C3'-C2' 98.304 -4.396 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.778 0 C4'-C3'-C2' 99.103 -3.597 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 0 C4'-C3'-C2' 99.561 -3.139 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.924 0 C4'-C3'-C2' 100.982 -1.718 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.874 0 P-O3'-C3' 123.281 2.984 . 0.187 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.041 0 C4'-C3'-C2' 99.575 -3.125 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 98.921 -3.779 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C4'-C3'-C2' 98.77 -3.93 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 C4'-C3'-C2' 98.842 -3.858 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.894 -3.806 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.822 1 C4'-C3'-C2' 98.61 -4.09 . 0.855 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 C4'-C3'-C2' 99.586 -3.114 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C5'-C4'-C3' 112.055 -2.297 . 0.806 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C5'-C4'-C3' 111.202 -2.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 1 C4'-C3'-C2' 98.69 -4.01 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.973 0 C4'-C3'-C2' 98.952 -3.748 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 99.989 -2.711 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -109.13 122.17 46.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.179 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.84 139.08 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.833 -169.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.406 ' HA ' HD11 ' A' ' 122' ' ' LEU . 44.2 t -78.86 129.74 34.9 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.452 171.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -111.58 24.24 12.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.26 154.44 23.62 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.133 170.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.88 114.75 2.03 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.846 0.355 . . . . 0.0 111.21 -172.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.3 t30 69.85 15.13 7.96 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.676 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.3 -78.56 0.23 Allowed 'General case' 0 CA--C 1.562 1.442 0 CA-C-O 120.667 0.27 . . . . 0.0 110.999 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.38 13.84 77.16 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 116.388 -0.369 . . . . 0.0 113.389 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 35.2 tttp -69.48 144.05 53.34 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 117.538 0.669 . . . . 0.0 110.669 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.39 138.37 54.37 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 -174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -126.28 158.49 35.62 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.198 -174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 118' ' ' LYS . 1.3 ptmt -76.82 -30.53 56.42 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.914 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' A' ' 117' ' ' LYS . 27.0 mmtm -129.24 148.09 51.14 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -65.26 -28.73 69.55 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.507 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -64.18 -32.11 73.57 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 122.286 -0.259 . . . . 0.0 110.963 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.23 -37.1 69.23 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.67 0.271 . . . . 0.0 110.676 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 107' ' ' CYS . 28.3 tp -62.02 -47.2 85.82 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.64 -40.16 86.74 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.622 174.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.685 HG21 HD23 ' A' ' 148' ' ' LEU . 12.7 t -61.29 -41.19 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.83 0.348 . . . . 0.0 110.938 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.2 t60 -67.62 -44.35 78.21 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.075 -177.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.78 -31.69 73.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.306 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.77 54.28 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 116.845 -0.161 . . . . 0.0 110.857 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.74 -46.84 67.83 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 122.389 -0.194 . . . . 0.0 111.182 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -63.81 -36.26 83.33 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-O 120.729 0.299 . . . . 0.0 110.999 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 80.0 p -82.29 -18.75 41.22 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.01 33.0 19.3 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 123.244 0.618 . . . . 0.0 111.899 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -131.08 155.8 46.3 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 36.6 mt -94.5 132.28 29.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.096 -169.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.5 Cg_endo -78.42 -36.46 0.93 Allowed 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.565 2.177 . . . . 0.0 113.233 -171.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 83.5 m-85 -100.23 92.75 5.35 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.936 0.398 . . . . 0.0 110.43 -169.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -95.15 143.01 26.92 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.548 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.83 121.04 84.22 Favored Pre-proline 0 CA--C 1.564 1.481 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.348 172.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -89.88 4.5 4.85 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 C-N-CA 122.906 2.404 . . . . 0.0 113.251 -171.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -65.43 144.1 57.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.41 111.29 3.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.58 -3.94 42.97 Favored Glycine 0 CA--C 1.544 1.878 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.602 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.1 t -106.46 155.51 19.5 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 120.851 0.358 . . . . 0.0 110.627 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -146.06 13.24 1.28 Allowed 'General case' 0 CA--C 1.557 1.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.2 145.59 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -134.29 152.26 51.72 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.335 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -134.02 156.12 48.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.225 -169.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.8 p -87.34 -15.68 37.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.576 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.685 HD23 HG21 ' A' ' 124' ' ' VAL . 15.3 mt -141.87 154.59 65.66 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.875 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.1 Cg_endo -66.29 -32.84 40.84 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.531 2.154 . . . . 0.0 112.384 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.1 p -62.57 -37.63 86.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 120.732 0.301 . . . . 0.0 111.043 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.35 -39.26 71.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.887 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.04 -45.88 86.89 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.757 172.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.69 -36.51 74.33 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.111 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -73.11 -35.42 66.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.855 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -66.03 -35.2 79.91 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-O 120.585 0.231 . . . . 0.0 111.172 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -58.61 -31.19 67.85 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 120.55 0.214 . . . . 0.0 110.69 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -59.61 -25.7 64.85 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.177 178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.433 HG22 " H2'" ' B' ' 5' ' ' ' C' . 46.5 t -61.77 -43.22 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 120.663 0.268 . . . . 0.0 110.522 175.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -76.18 -28.25 57.24 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.227 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.28 63.13 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-O 120.636 0.255 . . . . 0.0 110.853 175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 90.07 171.46 44.47 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.398 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -124.16 94.8 44.78 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.47 145.55 14.89 Favored 'Trans proline' 0 N--CA 1.451 -0.981 0 C-N-CA 122.481 2.12 . . . . 0.0 112.596 -171.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.6 t -74.67 141.02 44.6 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.17 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -142.23 13.51 2.01 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.319 173.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -67.18 -23.13 65.73 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.031 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -150.61 145.89 26.18 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.33 -27.92 68.94 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.446 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.1 p -93.58 16.35 13.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.386 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -113.83 136.74 52.53 Favored 'General case' 0 CA--C 1.55 0.942 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.248 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -136.08 17.02 3.23 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.425 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.41 140.35 58.56 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.655 0.264 . . . . 0.0 110.864 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 123.34 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.33 170.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.7 137.93 15.25 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.201 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -22.48 66.36 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 122.888 -0.184 . . . . 0.0 111.057 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.78 162.14 39.82 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 176.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.5 t-105 -57.72 -40.09 78.79 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.379 -174.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 p -56.97 -48.02 79.38 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.469 0.176 . . . . 0.0 111.01 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.9 -35.63 78.92 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.183 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -68.24 -48.12 65.95 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.626 0.251 . . . . 0.0 110.655 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.6 mt -60.73 -39.58 89.17 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.03 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -63.95 -43.59 95.38 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.835 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -61.95 -42.88 99.61 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.704 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.75 -45.07 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.997 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.64 74.07 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.988 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -89.25 -27.12 20.81 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.95 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 96.1 m -114.9 -19.78 10.83 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -169.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -136.83 11.93 3.14 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -149.45 14.37 0.86 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.685 0.278 . . . . 0.0 111.261 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 121.032 0.444 . . . . 0.0 111.023 178.711 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.222 -3.478 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.661 -3.039 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 C4'-C3'-C2' 98.607 -4.093 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.865 -2.835 . 0.935 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.433 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.542 2.469 1 O5'-C5'-C4' 116.055 4.182 . 0.344 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.748 1 O4'-C4'-C3' 111.135 4.025 . 0.606 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 P-O3'-C3' 124.436 3.947 . 0.58 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 1 C3'-C2'-C1' 97.539 -4.401 . 0.666 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.004 -3.696 . 0.713 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.929 0 C4'-C3'-C2' 99.705 -2.995 . 0.922 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 1 C5'-C4'-O4' 114.943 4.102 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.923 0 C5'-C4'-C3' 110.741 -3.173 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.497 0 C3'-C2'-C1' 99.305 -2.439 . 0.175 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 O5'-C5'-C4' 114.73 3.235 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.872 0 C5'-C4'-O4' 114.264 3.617 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 98.723 -3.977 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C4'-C3'-C2' 98.271 -4.429 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.292 0 C4'-C3'-C2' 99.155 -3.545 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.184 0 C4'-C3'-C2' 99.321 -3.379 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 C4'-C3'-C2' 98.377 -4.323 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 1 C4'-C3'-C2' 98.248 -4.452 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C5'-C4'-O4' 112.657 2.469 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 1 C5'-C4'-C3' 108.266 -4.823 . 0.792 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C5'-C4'-O4' 112.866 2.619 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.854 1 C3'-C2'-C1' 97.7 -4.222 . 0.634 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.494 3 C5'-C4'-O4' 116.015 4.868 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 P-O3'-C3' 124.04 3.617 . 0.728 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.761 0 C4'-C3'-C2' 99.773 -2.927 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.186 0 C4'-C3'-C2' 99.16 -3.54 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 C4'-C3'-C2' 98.972 -3.728 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.215 0 C5'-C4'-O4' 112.779 2.556 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.26 -3.44 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.478 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.139 0 C3'-C2'-C1' 102.916 1.573 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.617 0 O5'-C5'-C4' 112.72 1.8 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.478 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 O5'-C5'-C4' 114.012 2.723 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 P-O3'-C3' 123.005 2.754 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 1 C4'-C3'-C2' 96.958 -5.742 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.436 1 C5'-C4'-O4' 115.402 4.43 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 C4'-C3'-C2' 98.232 -4.468 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.828 0 C4'-C3'-C2' 99.043 -3.657 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.183 0 C4'-C3'-C2' 99.549 -3.151 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.962 0 C4'-C3'-C2' 100.748 -1.952 . 0.943 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.148 0 O5'-C5'-C4' 114.423 3.017 . 0.162 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.957 0 C4'-C3'-C2' 99.598 -3.102 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 98.951 -3.749 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C4'-C3'-C2' 98.792 -3.908 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 1 C4'-C3'-C2' 98.62 -4.08 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.941 0 C4'-C3'-C2' 98.938 -3.762 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.82 1 C4'-C3'-C2' 98.682 -4.018 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 C4'-C3'-C2' 99.45 -3.25 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.001 0 O4'-C4'-C3' 109.662 2.973 . 0.62 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.719 0 C5'-C4'-C3' 111.086 -2.943 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.089 -3.611 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.996 0 C4'-C3'-C2' 99.087 -3.613 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 C4'-C3'-C2' 99.887 -2.813 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 120.877 0.37 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -109.11 119.57 39.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.171 -178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.1 t -111.31 139.19 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.833 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 43.9 t -78.23 128.4 33.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.439 171.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -110.53 24.29 13.16 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.994 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -61.43 153.77 26.15 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 170.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.5 114.78 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 120.784 0.326 . . . . 0.0 111.247 -172.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.78 15.14 8.02 Favored 'General case' 0 CA--C 1.565 1.532 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.748 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 50.4 t -84.95 -78.39 0.25 Allowed 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 120.755 0.312 . . . . 0.0 111.027 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.83 15.2 73.63 Favored Glycine 0 CA--C 1.551 2.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 113.432 175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.6 142.71 53.48 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 117.462 0.631 . . . . 0.0 110.472 177.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.99 137.92 54.83 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.907 0.384 . . . . 0.0 111.188 -173.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -126.26 157.04 39.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.992 -174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.512 ' HG3' ' HG3' ' A' ' 118' ' ' LYS . 1.2 ptmt -72.31 -32.07 66.25 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.635 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 55.4 mttp -137.78 154.02 49.62 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.074 0.464 . . . . 0.0 111.773 -178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -67.55 -28.69 68.01 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.703 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -63.97 -36.08 82.78 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 122.318 -0.239 . . . . 0.0 110.716 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -71.8 -37.74 70.36 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.686 0.279 . . . . 0.0 110.549 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.66 -47.27 86.98 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.75 0.31 . . . . 0.0 110.704 176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -62.52 -38.47 90.1 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.87 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 148' ' ' LEU . 3.2 t -59.91 -41.21 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 174.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 73.5 t60 -68.46 -44.93 73.78 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.159 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.12 -31.69 72.98 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.72 -0.218 . . . . 0.0 111.395 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -28.93 53.46 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.757 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.3 t -67.69 -46.93 70.87 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 122.431 -0.168 . . . . 0.0 111.265 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.26 -36.26 83.51 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 120.835 0.35 . . . . 0.0 111.058 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 77.4 p -81.83 -17.84 46.06 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.01 32.73 16.05 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.283 0.633 . . . . 0.0 111.838 -175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -131.19 155.47 46.99 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.223 169.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.6 mt -94.87 133.72 26.05 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.072 -169.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -79.93 -38.15 0.38 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.561 2.174 . . . . 0.0 113.256 -171.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.564 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.0 m-85 -95.24 92.24 6.67 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.509 -170.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.44 141.78 28.59 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.625 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 33.8 t -73.92 120.48 81.47 Favored Pre-proline 0 CA--C 1.565 1.543 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.454 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.17 5.72 4.81 Favored 'Trans proline' 0 CA--C 1.552 1.403 0 C-N-CA 122.836 2.357 . . . . 0.0 113.349 -171.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -63.27 142.38 58.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.882 0.372 . . . . 0.0 111.009 -177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.41 103.4 1.63 Allowed 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 113.31 -1.33 25.21 Favored Glycine 0 CA--C 1.544 1.88 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.507 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -110.34 158.23 18.66 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.827 0.346 . . . . 0.0 110.614 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -148.05 11.71 0.94 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.668 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -66.52 148.76 51.43 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 120.817 0.341 . . . . 0.0 110.687 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -135.28 154.0 51.7 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.637 174.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -134.12 160.18 38.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.951 -171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.423 ' O ' HD22 ' A' ' 148' ' ' LEU . 9.0 p -83.27 -26.95 30.22 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.511 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.466 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -136.52 155.62 76.85 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 122.381 0.272 . . . . 0.0 110.423 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.564 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.1 Cg_endo -64.64 -25.01 62.05 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.637 2.225 . . . . 0.0 112.563 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 18.1 p -65.02 -43.71 91.58 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.73 0.3 . . . . 0.0 110.924 175.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -70.1 -36.12 74.64 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.01 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.99 -43.98 94.05 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.509 0.195 . . . . 0.0 110.775 173.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -64.58 -35.45 81.01 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.803 -0.181 . . . . 0.0 111.111 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -65.83 -40.37 91.73 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.562 0.22 . . . . 0.0 110.594 173.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.84 -39.08 90.45 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.077 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -58.81 -31.41 68.43 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.549 0.214 . . . . 0.0 110.982 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -59.72 -25.91 65.2 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.03 177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.524 HG22 " H2'" ' B' ' 5' ' ' ' C' . 30.9 t -61.76 -43.5 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-O 120.721 0.296 . . . . 0.0 110.53 176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -77.12 -28.58 54.39 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.22 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.97 -26.66 63.26 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 120.665 0.269 . . . . 0.0 110.841 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.23 168.87 44.66 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.385 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -124.06 94.79 44.98 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.59 145.83 16.63 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.546 2.164 . . . . 0.0 112.522 -171.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -74.06 138.64 44.13 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.017 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -137.35 12.71 3.02 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.418 174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -68.35 -21.88 64.71 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.106 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -149.68 141.67 23.87 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 120.835 0.35 . . . . 0.0 110.679 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.33 -22.59 66.28 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.618 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 72.4 m -100.34 19.42 16.67 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.207 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.33 163.08 13.23 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 171.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.53 5.75 0.4 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -66.68 138.01 57.11 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 120.757 0.313 . . . . 0.0 111.104 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.38 122.04 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.236 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.58 139.01 16.91 Favored Glycine 0 N--CA 1.473 1.155 0 C-N-CA 121.367 -0.444 . . . . 0.0 112.103 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -69.62 -18.33 63.59 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 120.578 0.227 . . . . 0.0 111.068 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.83 160.2 43.01 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.849 0.357 . . . . 0.0 110.427 175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.418 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.7 t-105 -57.97 -38.9 76.89 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.365 -174.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.2 p -57.62 -46.37 84.2 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.14 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.6 mt -62.17 -35.3 78.38 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.28 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -69.43 -48.28 61.45 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.546 0.213 . . . . 0.0 110.589 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 177' ' ' TRP . 55.4 mt -60.2 -40.76 91.19 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.764 0.316 . . . . 0.0 110.814 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -64.74 -41.68 95.75 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -61.91 -42.61 99.29 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.824 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.64 -45.03 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.197 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.01 -32.02 73.29 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 120.704 0.288 . . . . 0.0 111.153 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.24 -43.99 10.59 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.652 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 93.3 m -92.54 -20.52 20.85 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -169.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -130.19 0.66 4.66 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 47.51 45.74 17.47 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.897 0.379 . . . . 0.0 111.269 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 121.017 0.437 . . . . 0.0 111.031 -177.268 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.214 0 C4'-C3'-C2' 99.253 -3.447 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C4'-C3'-C2' 99.379 -3.321 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 C4'-C3'-C2' 99.244 -3.456 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 C3'-C2'-C1' 103.795 2.55 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.524 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.501 -2.655 0 O3'-P-O5' 109.826 3.066 . 0.269 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 0 O5'-C5'-C4' 115.792 3.994 . 0.557 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 P-O3'-C3' 124.338 3.865 . 0.583 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 1 C3'-C2'-C1' 97.445 -4.506 . 0.656 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.203 -3.497 . 0.705 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.898 0 C4'-C3'-C2' 99.628 -3.072 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 1 C5'-C4'-O4' 115.402 4.43 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 C5'-C4'-C3' 110.191 -3.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.443 0 C3'-C2'-C1' 99.672 -2.032 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.408 0 O5'-C5'-C4' 114.575 3.125 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.901 0 C5'-C4'-O4' 114.202 3.573 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 C4'-C3'-C2' 98.837 -3.863 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 C4'-C3'-C2' 98.389 -4.311 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.399 0 C4'-C3'-C2' 99.251 -3.449 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 0 C4'-C3'-C2' 98.838 -3.862 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 C4'-C3'-C2' 98.736 -3.964 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 1 C4'-C3'-C2' 98.496 -4.204 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C5'-C4'-O4' 112.558 2.398 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 1 C5'-C4'-C3' 108.67 -4.553 . 0.774 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C5'-C4'-O4' 112.776 2.554 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.635 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 1.954 1 C3'-C2'-C1' 96.762 -5.264 . 0.625 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.586 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.543 2.551 2 O4'-C1'-C2' 99.867 -4.666 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.458 0 P-O3'-C3' 124.114 3.679 . 0.736 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.746 0 C4'-C3'-C2' 99.98 -2.72 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.147 -3.553 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.978 0 C4'-C3'-C2' 99.066 -3.634 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.142 0 C5'-C4'-O4' 112.802 2.573 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.366 -3.334 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.493 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.07 0 C4'-C3'-O3' 114.635 1.552 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.543 0 C3'-C2'-C1' 99.658 -2.047 . 0.067 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.493 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.773 2.552 . 0.731 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 P-O3'-C3' 123.177 2.898 . 0.364 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 1 C4'-C3'-C2' 96.908 -5.792 . 0.242 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.429 1 C5'-C4'-O4' 115.321 4.372 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 1 C4'-C3'-C2' 98.336 -4.364 . 0.527 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.815 0 O5'-C5'-C4' 115.088 3.491 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 C4'-C3'-C2' 99.348 -3.352 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 100.762 -1.938 . 0.921 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.099 0 O5'-C5'-C4' 114.456 3.04 . 0.172 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 0 C4'-C3'-C2' 99.557 -3.143 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 C4'-C3'-C2' 99.007 -3.693 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C4'-C3'-C2' 98.81 -3.89 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 98.775 -3.925 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C4'-C3'-C2' 98.97 -3.73 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.75 1 C4'-C3'-C2' 98.524 -4.176 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 C4'-C3'-C2' 99.34 -3.36 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 0 O4'-C4'-C3' 109.723 3.017 . 0.571 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 0 C5'-C4'-C3' 110.485 -3.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.029 0 C4'-C3'-C2' 99.104 -3.596 . 0.928 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 98.973 -3.727 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 100.21 -2.49 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 CA-C-O 120.823 0.344 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.13 124.16 50.36 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.444 -176.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.0 t -110.49 139.09 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.726 -169.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HA ' HD11 ' A' ' 122' ' ' LEU . 52.7 t -79.5 128.52 33.47 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.454 171.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -110.89 24.94 12.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.874 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.3 154.35 24.02 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 170.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -55.44 114.63 1.9 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.881 0.372 . . . . 0.0 111.186 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.83 14.95 7.99 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.612 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.25 -79.82 0.22 Allowed 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 120.746 0.307 . . . . 0.0 110.968 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.32 15.65 77.06 Favored Glycine 0 CA--C 1.555 2.541 0 CA-C-N 116.327 -0.397 . . . . 0.0 113.423 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.2 tttp -70.96 143.29 50.91 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 117.356 0.578 . . . . 0.0 110.633 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.12 138.04 54.38 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -173.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -126.09 160.03 31.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.161 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -64.27 -42.08 96.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.153 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.632 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 35.9 mttp -143.09 155.86 44.69 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.867 -170.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -64.44 -28.86 69.96 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.755 -170.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.58 -32.38 73.69 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 122.437 -0.164 . . . . 0.0 110.86 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -73.1 -37.7 66.63 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.693 0.282 . . . . 0.0 110.744 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 107' ' ' CYS . 23.0 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.744 0.307 . . . . 0.0 110.435 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -60.61 -39.2 87.32 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.896 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.644 HG21 HD13 ' A' ' 148' ' ' LEU . 6.1 t -58.96 -41.26 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 176.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.411 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.9 -45.08 68.38 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.215 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.15 -31.82 73.2 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.351 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.78 53.28 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.992 174.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.55 -46.49 69.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.186 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.25 -36.28 83.58 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 120.748 0.309 . . . . 0.0 110.971 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 67.3 p -82.77 -19.3 38.08 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.048 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.5 31.13 18.37 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 123.264 0.626 . . . . 0.0 112.022 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.89 156.52 44.26 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.389 169.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.9 mt -95.37 131.73 29.17 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 120.73 0.3 . . . . 0.0 111.028 -170.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -78.97 -37.5 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.473 2.115 . . . . 0.0 113.211 -170.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.495 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 87.3 m-85 -96.93 95.04 7.56 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.847 0.356 . . . . 0.0 110.618 -170.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.88 143.07 28.87 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 120.857 0.361 . . . . 0.0 110.828 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.66 121.57 85.55 Favored Pre-proline 0 CA--C 1.565 1.526 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.557 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -91.9 4.64 3.8 Favored 'Trans proline' 0 CA--C 1.552 1.421 0 C-N-CA 122.882 2.388 . . . . 0.0 113.313 -172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -69.99 150.38 46.73 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.127 0.489 . . . . 0.0 110.966 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.65 129.91 42.08 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.977 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.03 4.87 89.74 Favored Glycine 0 CA--C 1.546 1.972 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.764 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -119.11 154.44 33.23 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -151.9 18.36 0.68 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -64.03 145.98 54.94 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.391 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -134.0 149.19 51.2 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 57.5 m-85 -134.04 161.4 34.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.177 -169.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 p -82.95 -29.55 28.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.622 -174.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 124' ' ' VAL . 4.4 mm? -129.25 155.23 80.29 Favored Pre-proline 0 N--CA 1.479 1.018 0 CA-C-O 120.649 0.261 . . . . 0.0 110.798 -177.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 19.8 Cg_endo -65.93 -34.8 37.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.466 2.111 . . . . 0.0 112.146 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.6 m -67.09 -33.12 74.79 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.081 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.15 -36.69 66.71 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.033 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.66 -45.38 83.15 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.803 0.335 . . . . 0.0 110.618 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -54.83 -40.87 70.03 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -67.56 -40.63 84.91 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.893 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 75.4 t60 -61.07 -34.04 74.28 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.523 0.201 . . . . 0.0 111.343 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -58.45 -30.06 66.64 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 122.291 -0.256 . . . . 0.0 110.76 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -59.43 -25.65 64.52 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.761 -0.199 . . . . 0.0 111.109 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.477 HG22 " H2'" ' B' ' 5' ' ' ' C' . 35.7 t -61.73 -40.83 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 CA-C-O 120.61 0.243 . . . . 0.0 110.602 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -77.06 -32.21 56.67 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.19 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.03 63.52 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 120.635 0.255 . . . . 0.0 111.079 178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.32 173.21 46.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 116.475 -0.329 . . . . 0.0 112.564 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -124.11 94.74 44.97 Favored Pre-proline 0 C--O 1.236 0.362 0 C-N-CA 122.526 0.33 . . . . 0.0 110.134 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.35 140.95 13.97 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.207 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.23 142.28 52.39 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.084 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -143.5 12.11 1.71 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.586 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -68.1 -22.39 64.91 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -146.98 142.26 27.33 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.811 0.339 . . . . 0.0 110.473 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -65.15 -24.25 67.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.594 -174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.9 m -102.78 19.35 19.42 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.167 0.187 . . . . 0.0 111.273 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.0 158.96 15.38 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 171.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -149.44 2.65 0.55 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.65 139.92 58.81 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 120.768 0.318 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.2 t -128.22 121.36 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.52 134.61 12.83 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.1 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -66.93 -17.55 64.96 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 122.829 -0.218 . . . . 0.0 111.135 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.39 163.29 38.73 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.845 0.355 . . . . 0.0 110.596 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.438 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.8 t-105 -58.34 -41.06 83.78 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.408 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.3 p -57.39 -46.85 83.0 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 120.389 0.138 . . . . 0.0 111.028 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.06 -34.56 76.49 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.311 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -69.94 -48.07 59.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.54 0.209 . . . . 0.0 110.644 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.438 HD11 ' CE2' ' A' ' 177' ' ' TRP . 53.1 mt -59.78 -41.48 91.23 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 120.85 0.357 . . . . 0.0 111.052 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -63.92 -43.33 96.26 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -62.03 -42.53 99.27 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.776 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.8 t -62.09 -45.03 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.135 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.9 -31.35 72.51 Favored 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.36 -28.47 19.78 Favored 'General case' 0 CA--C 1.561 1.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 112.044 -175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.9 m -113.89 -19.16 11.58 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -169.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -134.63 12.28 3.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -143.2 173.1 11.88 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 120.768 0.318 . . . . 0.0 110.623 174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.994 0.426 . . . . 0.0 110.862 -179.788 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.081 0 C4'-C3'-C2' 99.828 -2.872 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 99.208 -3.492 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.065 1 C4'-C3'-C2' 98.61 -4.09 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C4'-C3'-C2' 99.594 -3.106 . 0.943 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.477 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O5'-C5'-C4' 115.801 4.0 . 0.342 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 O5'-C5'-C4' 115.407 3.719 . 0.663 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 P-O3'-C3' 124.153 3.711 . 0.562 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 1 C3'-C2'-C1' 97.311 -4.654 . 0.67 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.432 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.307 -3.393 . 0.678 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 C4'-C3'-C2' 99.686 -3.014 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 1 C5'-C4'-O4' 115.1 4.214 . 0.259 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 C5'-C4'-C3' 110.162 -3.559 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C3'-C2'-C1' 99.761 -1.932 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.516 0 O5'-C5'-C4' 114.721 3.229 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.875 0 C5'-C4'-O4' 113.987 3.419 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 C4'-C3'-C2' 98.774 -3.926 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 1 C4'-C3'-C2' 98.608 -4.092 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 1 C4'-C3'-C2' 98.64 -4.06 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.166 1 C4'-C3'-C2' 98.075 -4.625 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.856 1 C4'-C3'-C2' 98.699 -4.001 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.955 0 C4'-C3'-C2' 99.27 -3.43 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C4'-C3'-C2' 99.881 -2.819 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C5'-C4'-C3' 109.518 -3.988 . 0.573 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C5'-C4'-O4' 114.641 3.886 . 0.265 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.632 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.539 2.199 1 C3'-C2'-C1' 97.262 -4.709 . 0.354 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.575 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.545 2.727 2 C3'-C2'-C1' 97.316 -4.649 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 P-O3'-C3' 123.87 3.475 . 0.716 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.681 0 C4'-C3'-C2' 100.049 -2.651 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.252 0 C4'-C3'-C2' 99.292 -3.408 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.943 0 C4'-C3'-C2' 99.069 -3.631 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.243 0 C5'-C4'-O4' 112.777 2.555 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.262 -3.438 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.481 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.035 0 C3'-C2'-C1' 102.866 1.518 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.545 0 O5'-C5'-C4' 112.75 1.822 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.481 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 O5'-C5'-C4' 113.925 2.661 . 0.726 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 P-O3'-C3' 123.098 2.832 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 C4'-C3'-C2' 96.892 -5.808 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.414 1 C5'-C4'-O4' 115.427 4.448 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 1 C4'-C3'-C2' 98.197 -4.503 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.852 0 C4'-C3'-C2' 98.961 -3.739 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.285 0 C4'-C3'-C2' 100.293 -2.407 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C5'-C4'-C3' 112.398 -2.068 . 0.958 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.703 0 P-O3'-C3' 123.074 2.811 . 0.19 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C4'-C3'-C2' 99.258 -3.442 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C4'-C3'-C2' 98.759 -3.941 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 1 C4'-C3'-C2' 98.37 -4.33 . 0.682 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 C4'-C3'-C2' 98.719 -3.981 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.915 -3.785 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.869 1 C4'-C3'-C2' 98.486 -4.214 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 C4'-C3'-C2' 99.526 -3.174 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.163 0 O4'-C4'-C3' 110.009 3.221 . 0.551 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.569 0 C5'-C4'-C3' 110.508 -3.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 1 C4'-C3'-C2' 98.69 -4.01 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.949 0 C4'-C3'-C2' 98.926 -3.774 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.897 -2.803 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.819 0.342 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -109.13 122.29 46.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.465 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -109.93 139.14 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.73 -169.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.413 ' HA ' HD11 ' A' ' 122' ' ' LEU . 50.6 t -78.45 129.06 34.47 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.463 171.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -111.32 24.57 12.68 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.24 154.53 23.31 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.165 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.77 114.76 2.02 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 -172.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.6 t30 69.77 15.11 8.04 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.677 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.04 -78.41 0.25 Allowed 'General case' 0 CA--C 1.564 1.491 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.9 13.78 75.68 Favored Glycine 0 CA--C 1.554 2.474 0 CA-C-N 116.323 -0.398 . . . . 0.0 113.435 174.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 39.1 tttp -69.7 143.33 53.15 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 117.49 0.645 . . . . 0.0 110.626 178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.79 137.51 54.74 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 120.932 0.396 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -126.15 156.77 39.59 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.198 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -60.18 -45.33 93.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.989 177.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.532 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 11.7 mttp -137.44 153.93 50.03 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 120.871 0.367 . . . . 0.0 111.007 -170.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.2 -28.66 69.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.596 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -64.01 -35.82 81.98 Favored 'General case' 0 CA--C 1.557 1.248 0 O-C-N 122.378 -0.201 . . . . 0.0 110.963 176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -72.63 -36.09 67.95 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.651 0.263 . . . . 0.0 110.73 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 107' ' ' CYS . 27.9 tp -61.18 -47.03 88.04 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 120.614 0.245 . . . . 0.0 110.554 175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -57.21 -43.45 82.8 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.677 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.654 HG21 HD23 ' A' ' 148' ' ' LEU . 13.1 t -58.3 -41.07 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 120.781 0.324 . . . . 0.0 110.968 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.5 t60 -69.42 -45.03 70.15 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.221 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -65.63 -31.74 72.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.349 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.85 54.55 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.449 0.166 . . . . 0.0 110.882 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -68.33 -46.61 69.73 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 122.379 -0.201 . . . . 0.0 111.21 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -64.22 -36.4 83.95 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.089 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -82.55 -19.28 38.91 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.01 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.24 31.5 18.55 Favored 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.292 0.637 . . . . 0.0 111.941 -175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.53 156.27 44.44 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 169.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.5 mt -95.66 132.05 28.18 Favored Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.148 -169.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.0 Cg_endo -78.99 -37.29 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.515 2.143 . . . . 0.0 113.211 -171.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.491 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -97.74 94.22 6.82 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -169.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -98.97 141.58 31.55 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.99 119.88 78.45 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.504 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -92.01 5.63 3.56 Favored 'Trans proline' 0 CA--C 1.552 1.377 0 C-N-CA 122.82 2.346 . . . . 0.0 113.268 -172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -71.73 148.88 45.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.985 0.421 . . . . 0.0 111.0 -175.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.31 128.34 35.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.88 2.13 81.65 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.724 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.0 t -120.69 152.9 37.63 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 120.99 0.424 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -148.93 17.05 0.97 Allowed 'General case' 0 CA--C 1.556 1.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.988 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.43 149.72 49.98 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.641 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -135.04 150.39 50.29 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.11 163.6 29.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.055 -169.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.0 p -88.23 -20.9 24.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.696 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.654 HD23 HG21 ' A' ' 124' ' ' VAL . 16.8 mt -138.63 153.97 72.81 Favored Pre-proline 0 N--CA 1.473 0.692 0 CA-C-O 120.699 0.285 . . . . 0.0 111.014 -178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.6 Cg_endo -67.54 -33.59 28.35 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.521 2.148 . . . . 0.0 112.264 -178.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.7 p -63.4 -37.95 89.26 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.987 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -42.57 74.83 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.16 -46.74 85.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.647 0.261 . . . . 0.0 110.823 174.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -59.13 -35.84 74.16 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -73.25 -32.86 64.96 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.983 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -65.32 -38.1 89.14 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.643 0.259 . . . . 0.0 111.05 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.77 -31.28 68.23 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.64 0.257 . . . . 0.0 110.931 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -59.76 -25.81 65.18 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.434 HG22 " H2'" ' B' ' 5' ' ' ' C' . 45.2 t -61.67 -42.88 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.834 0.349 . . . . 0.0 110.43 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -74.99 -28.8 60.69 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.35 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.84 -24.91 62.62 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-O 120.643 0.259 . . . . 0.0 110.814 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.96 170.65 46.21 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.382 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.07 94.72 45.06 Favored Pre-proline 0 C--O 1.237 0.434 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -82.18 146.32 14.12 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.506 2.137 . . . . 0.0 112.63 -171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -75.33 140.82 43.32 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.149 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -142.61 13.52 1.94 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.381 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -66.65 -23.7 66.19 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.12 142.55 26.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.508 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.15 -21.09 64.03 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.639 -174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.3 m -98.19 18.2 16.81 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 120.498 0.19 . . . . 0.0 111.168 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.8 t -99.33 160.56 14.19 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 6.9 t -153.29 8.34 0.4 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -65.38 138.64 58.28 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.31 124.08 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.27 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.41 139.84 15.78 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 121.206 -0.521 . . . . 0.0 112.116 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.0 -19.77 64.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 120.518 0.199 . . . . 0.0 111.036 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.0 161.31 41.62 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.831 0.348 . . . . 0.0 110.454 176.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.428 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.8 t-105 -57.95 -39.0 77.01 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.349 -175.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.39 -47.02 82.78 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.457 0.17 . . . . 0.0 111.07 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.93 -35.55 78.74 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.168 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -68.89 -48.21 63.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.668 0.27 . . . . 0.0 110.62 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.5 mt -59.62 -39.58 84.71 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -63.98 -43.99 94.05 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -61.88 -42.61 99.26 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 120.679 0.276 . . . . 0.0 110.774 176.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.87 -45.02 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.1 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.51 73.6 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 120.658 0.266 . . . . 0.0 111.114 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -89.25 -31.0 18.09 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.9 m -110.31 -20.15 12.73 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -169.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -136.59 19.24 3.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -153.72 179.31 8.96 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 120.858 0.361 . . . . 0.0 110.808 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 22.4 t0 . . . . . 0 N--CA 1.476 0.843 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.36 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.091 0 C4'-C3'-C2' 99.761 -2.939 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.134 0 C4'-C3'-C2' 99.439 -3.261 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 1 C4'-C3'-C2' 98.581 -4.119 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 C4'-C3'-C2' 99.409 -3.291 . 0.966 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.434 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.503 -2.487 0 C4'-C3'-O3' 102.997 -2.924 . 0.384 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.297 1 O4'-C4'-C3' 111.409 4.22 . 0.588 4a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C4'-C3'-C2' 99.117 -3.583 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 C3'-C2'-C1' 97.739 -4.179 . 0.661 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.081 -3.619 . 0.711 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.067 0 C4'-C3'-C2' 99.654 -3.046 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 1 C5'-C4'-O4' 115.335 4.382 . 0.25 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 C5'-C4'-C3' 110.042 -3.639 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 C3'-C2'-C1' 99.631 -2.077 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.531 0 C5'-C4'-C3' 110.708 -3.194 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.879 0 C5'-C4'-O4' 114.089 3.492 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.029 0 C4'-C3'-C2' 98.759 -3.941 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.011 1 C4'-C3'-C2' 98.196 -4.504 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.472 0 C4'-C3'-C2' 99.271 -3.429 . 0.94 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.062 1 C5'-C4'-O4' 115.581 4.558 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.843 0 C4'-C3'-C2' 98.792 -3.908 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 0 C4'-C3'-C2' 99.046 -3.654 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O5'-C5'-C4' 113.078 2.056 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C5'-C4'-C3' 109.614 -3.924 . 0.709 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C5'-C4'-O4' 113.942 3.387 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 1 C3'-C2'-C1' 95.509 -6.657 . 0.466 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.532 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.544 2.581 0 C4'-C3'-C2' 99.099 -3.601 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 P-O3'-C3' 124.425 3.938 . 0.706 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 P-O3'-C3' 122.933 2.695 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.218 0 C4'-C3'-C2' 99.244 -3.456 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C4'-C3'-C2' 99.151 -3.549 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.228 0 C5'-C4'-O4' 112.834 2.596 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C4'-C3'-C2' 99.256 -3.444 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.478 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.16 0 C3'-C2'-C1' 102.931 1.589 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 0 O5'-C5'-C4' 112.753 1.823 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.478 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O5'-C5'-C4' 113.952 2.68 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 P-O3'-C3' 122.975 2.729 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.957 1 C4'-C3'-C2' 96.997 -5.703 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.43 1 C5'-C4'-O4' 115.32 4.371 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 1 C4'-C3'-C2' 98.255 -4.445 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 C4'-C3'-C2' 99.063 -3.637 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.213 0 C4'-C3'-C2' 99.642 -3.058 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 100.814 -1.886 . 0.949 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.065 0 O5'-C5'-C4' 114.558 3.113 . 0.2 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.474 -3.226 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.097 -3.603 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 98.778 -3.922 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 98.723 -3.977 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 C4'-C3'-C2' 98.812 -3.888 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.823 1 C4'-C3'-C2' 98.484 -4.216 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 99.343 -3.357 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.9 0 O4'-C4'-C3' 109.718 3.013 . 0.534 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.395 0 C4'-C3'-C2' 99.937 -2.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 98.889 -3.811 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 0 C4'-C3'-C2' 99.048 -3.652 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 100.066 -2.634 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 120.887 0.375 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.25 123.33 49.08 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.226 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.36 139.06 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.797 -169.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.408 ' HA ' HD11 ' A' ' 122' ' ' LEU . 42.8 t -77.98 128.05 33.3 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.479 171.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -109.95 23.73 13.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.915 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.68 154.24 25.87 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 170.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.02 114.71 2.05 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-O 120.794 0.331 . . . . 0.0 111.162 -172.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.13 8.04 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.643 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.56 -78.48 0.24 Allowed 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 120.687 0.279 . . . . 0.0 111.095 -178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.52 14.17 77.53 Favored Glycine 0 CA--C 1.554 2.491 0 CA-C-N 116.354 -0.384 . . . . 0.0 113.452 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.4 tttp -69.78 143.33 53.01 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 117.481 0.641 . . . . 0.0 110.626 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.06 137.81 54.53 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.896 0.379 . . . . 0.0 111.131 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.34 155.58 41.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.172 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.497 ' HE2' ' HZ1' ' A' ' 118' ' ' LYS . 72.2 tttt -65.14 -40.95 95.11 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.021 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.497 ' HZ1' ' HE2' ' A' ' 117' ' ' LYS . 13.0 mmtp -132.49 145.47 51.19 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.804 0.335 . . . . 0.0 110.561 -173.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -63.62 -28.71 70.1 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.647 -174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -63.98 -31.58 72.82 Favored 'General case' 0 CA--C 1.559 1.311 0 O-C-N 122.209 -0.307 . . . . 0.0 111.053 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -73.15 -38.15 66.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-O 120.655 0.264 . . . . 0.0 110.677 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 107' ' ' CYS . 34.0 tp -59.95 -46.99 87.61 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-O 120.869 0.366 . . . . 0.0 110.466 174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -57.05 -43.68 82.23 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.758 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.615 HG21 HD13 ' A' ' 148' ' ' LEU . 6.2 t -59.22 -41.23 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.424 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.2 t60 -68.69 -45.0 72.79 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.247 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.75 -31.83 73.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.451 0.167 . . . . 0.0 111.347 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -28.8 53.04 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.799 175.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.5 t -67.75 -46.99 70.54 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 122.46 -0.15 . . . . 0.0 111.218 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.47 -36.34 83.85 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.744 0.307 . . . . 0.0 111.024 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 68.5 p -82.06 -18.79 41.91 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.64 31.47 17.37 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.317 0.647 . . . . 0.0 111.858 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.52 155.3 45.98 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.8 mt -94.45 133.36 27.14 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 120.634 0.255 . . . . 0.0 111.265 -169.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.98 -36.71 0.68 Allowed 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.53 2.153 . . . . 0.0 113.207 -171.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.514 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.57 94.09 5.94 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.518 -170.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -102.99 141.96 34.9 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.7 t -74.7 120.98 84.18 Favored Pre-proline 0 CA--C 1.565 1.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.472 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -92.36 5.41 3.45 Favored 'Trans proline' 0 CA--C 1.552 1.378 0 C-N-CA 122.9 2.4 . . . . 0.0 113.163 -173.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -65.94 148.92 51.03 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.893 0.378 . . . . 0.0 111.142 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.36 121.72 15.49 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.93 1.72 76.08 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.57 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.7 t -116.53 155.36 28.79 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.544 0.338 . . . . 0.0 110.646 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -153.54 14.94 0.5 Allowed 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.684 -176.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -65.85 146.63 54.51 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 120.722 0.296 . . . . 0.0 110.497 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -133.4 150.85 51.79 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.572 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -134.16 160.37 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.08 -169.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.1 m -84.33 -28.31 27.16 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.571 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 124' ' ' VAL . 4.1 mm? -132.52 154.7 81.63 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-O 120.606 0.241 . . . . 0.0 110.546 -177.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.6 Cg_endo -66.91 -30.48 39.84 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.559 2.172 . . . . 0.0 112.424 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.0 p -61.15 -37.59 83.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -72.96 -40.85 64.99 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.66 -44.18 91.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.652 0.263 . . . . 0.0 110.635 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -54.99 -45.86 75.08 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.712 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.07 -30.45 69.65 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.154 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -69.11 -41.18 77.76 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 120.446 0.165 . . . . 0.0 110.963 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.84 -31.61 68.66 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 120.559 0.219 . . . . 0.0 110.881 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -59.82 -25.94 65.38 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.161 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.439 HG22 " H2'" ' B' ' 5' ' ' ' C' . 40.1 t -61.75 -42.39 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 120.721 0.296 . . . . 0.0 110.335 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.27 -30.05 60.32 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.332 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.86 -26.22 63.16 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 120.703 0.287 . . . . 0.0 110.812 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 89.97 169.95 43.85 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.339 -0.391 . . . . 0.0 112.534 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.07 94.8 44.95 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -82.49 145.99 13.48 Favored 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 122.502 2.135 . . . . 0.0 112.555 -171.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.5 t -74.28 142.0 45.28 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.025 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.12 13.12 1.83 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.315 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -66.03 -23.4 66.55 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -148.28 144.27 27.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 120.795 0.331 . . . . 0.0 110.571 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -65.08 -26.95 68.45 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.432 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 54.3 m -95.65 17.01 15.76 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.263 0.225 . . . . 0.0 111.302 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.78 160.09 14.53 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 173.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.9 p -152.99 6.55 0.38 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.29 138.26 58.09 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.752 0.311 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.3 t -128.35 123.78 60.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.288 170.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.96 139.52 15.81 Favored Glycine 0 N--CA 1.475 1.244 0 C-N-CA 121.314 -0.47 . . . . 0.0 112.138 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -69.19 -19.43 63.98 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 120.579 0.228 . . . . 0.0 111.092 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.97 160.82 41.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 120.843 0.354 . . . . 0.0 110.48 176.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.429 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.88 -38.85 76.5 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.283 -175.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.8 p -57.16 -47.57 80.86 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 120.437 0.161 . . . . 0.0 111.122 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.01 -35.31 78.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.144 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -68.54 -48.02 65.38 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.559 0.219 . . . . 0.0 110.618 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 177' ' ' TRP . 38.1 mt -61.04 -39.93 91.67 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -63.9 -43.65 95.33 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.817 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.87 -41.98 98.51 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.74 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 6.9 t -63.22 -45.07 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.087 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.21 75.31 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-O 120.777 0.323 . . . . 0.0 110.981 -176.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.28 -27.71 20.38 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.35 -20.97 11.63 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -169.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -132.62 10.12 4.33 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -143.57 175.89 9.62 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 120.835 0.35 . . . . 0.0 110.582 175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 N--CA 1.473 0.72 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.773 -179.639 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 99.338 -3.362 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.572 -3.128 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 98.867 -3.833 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.661 -3.039 . 0.948 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.439 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.504 -2.36 0 C4'-C3'-C2' 100.15 -2.55 . 0.354 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.001 0 O4'-C4'-C3' 111.039 3.957 . 0.597 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 P-O3'-C3' 124.315 3.846 . 0.576 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 1 C3'-C2'-C1' 97.653 -4.275 . 0.668 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.414 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.035 -3.665 . 0.711 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C4'-C3'-C2' 99.618 -3.082 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 C5'-C4'-O4' 114.866 4.047 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 0 C5'-C4'-C3' 110.726 -3.183 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 C3'-C2'-C1' 99.246 -2.504 . 0.169 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.574 0 O5'-C5'-C4' 114.72 3.229 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.926 0 C5'-C4'-O4' 114.074 3.482 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 C4'-C3'-C2' 98.758 -3.942 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 1 C4'-C3'-C2' 98.239 -4.461 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C4'-C3'-C2' 99.308 -3.392 . 0.932 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 1 C4'-C3'-C2' 98.632 -4.068 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 1 C4'-C3'-C2' 98.546 -4.154 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 1 C4'-C3'-C2' 98.64 -4.06 . 0.597 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C5'-C4'-O4' 112.902 2.644 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 1 C5'-C4'-C3' 108.32 -4.787 . 0.754 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C5'-C4'-O4' 113.051 2.75 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 2 C3'-C2'-C1' 95.132 -7.075 . 0.624 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 0 P-O3'-C3' 124.162 3.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 1 P-O3'-C3' 124.581 4.067 . 0.733 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.675 0 C4'-C3'-C2' 100.023 -2.677 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 C4'-C3'-C2' 99.237 -3.463 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 98.983 -3.717 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C5'-C4'-O4' 112.77 2.55 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.216 -3.484 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.481 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.144 0 C3'-C2'-C1' 102.883 1.536 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.476 0 O5'-C5'-C4' 112.725 1.804 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.481 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O5'-C5'-C4' 113.984 2.703 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 P-O3'-C3' 122.992 2.744 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 1 C4'-C3'-C2' 96.888 -5.812 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.566 1 C5'-C4'-O4' 115.327 4.376 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 1 C4'-C3'-C2' 98.297 -4.403 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.174 0 C4'-C3'-C2' 99.469 -3.231 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.674 -3.026 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 0 C4'-C3'-C2' 100.697 -2.003 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.177 0 O5'-C5'-C4' 114.855 3.325 . 0.181 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.906 0 C4'-C3'-C2' 99.594 -3.106 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 99.314 -3.386 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 98.902 -3.798 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 C4'-C3'-C2' 98.598 -4.102 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C4'-C3'-C2' 98.816 -3.884 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.803 1 C4'-C3'-C2' 98.637 -4.063 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.991 0 C4'-C3'-C2' 99.445 -3.255 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 O4'-C4'-C3' 109.626 2.947 . 0.607 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.462 0 C5'-C4'-C3' 110.832 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 C4'-C3'-C2' 99.003 -3.697 . 0.923 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 99.037 -3.663 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.968 -2.732 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -109.12 118.82 37.74 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.182 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.4 t -111.17 139.05 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.829 -168.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.7 t -77.7 128.1 33.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.544 170.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -110.07 24.22 13.31 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.99 -177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.78 153.63 28.03 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 170.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.69 114.72 1.99 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 120.78 0.324 . . . . 0.0 111.185 -172.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.8 t30 69.75 15.26 8.04 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.711 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 49.4 t -85.1 -78.42 0.25 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-O 120.746 0.308 . . . . 0.0 110.948 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.34 15.55 74.98 Favored Glycine 0 CA--C 1.552 2.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 113.415 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 36.6 tttp -69.74 142.76 53.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 117.556 0.678 . . . . 0.0 110.498 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.98 138.06 54.79 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.899 0.38 . . . . 0.0 111.201 -173.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.19 155.35 41.9 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.03 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -71.3 -35.3 71.22 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.617 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 6.9 mttp -130.85 150.57 51.96 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 120.925 0.393 . . . . 0.0 111.272 -178.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -67.98 -28.77 67.73 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.767 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -64.83 -31.71 73.07 Favored 'General case' 0 CA--C 1.558 1.285 0 O-C-N 122.183 -0.323 . . . . 0.0 110.964 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -73.02 -37.23 67.0 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 120.715 0.293 . . . . 0.0 110.685 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.04 -47.11 87.2 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 120.701 0.286 . . . . 0.0 110.449 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -57.26 -44.1 83.62 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 148' ' ' LEU . 7.4 t -58.11 -41.18 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.414 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.8 t60 -68.99 -45.04 71.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.244 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.6 -31.81 73.05 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.84 -0.164 . . . . 0.0 111.389 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -28.82 52.93 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.828 175.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.0 t -67.6 -46.99 71.0 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 122.423 -0.173 . . . . 0.0 111.173 176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.46 -36.34 83.87 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.813 0.339 . . . . 0.0 111.029 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.9 p -81.69 -18.21 45.23 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.25 32.74 16.71 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.96 -175.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -131.03 156.0 45.9 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.229 169.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.2 mt -95.63 131.54 29.23 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.009 -169.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -79.19 -38.1 0.46 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 122.502 2.134 . . . . 0.0 113.282 -170.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.3 m-85 -95.74 94.49 7.72 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.474 -170.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -99.21 142.97 30.01 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.865 -178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.16 120.71 82.72 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.51 4.63 5.01 Favored 'Trans proline' 0 CA--C 1.551 1.327 0 C-N-CA 122.804 2.336 . . . . 0.0 113.195 -172.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -63.93 144.08 57.36 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.922 0.391 . . . . 0.0 111.049 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -67.42 109.38 3.16 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 106.78 -2.77 36.08 Favored Glycine 0 CA--C 1.545 1.927 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.552 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.5 t -108.01 155.74 20.01 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -145.13 12.15 1.38 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.27 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -65.33 144.02 57.38 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.785 0.326 . . . . 0.0 110.665 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -133.33 150.36 51.86 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.395 175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -134.05 158.24 44.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.923 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.7 p -83.04 -26.76 30.86 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.465 -175.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.604 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.2 154.85 81.78 Favored Pre-proline 0 N--CA 1.476 0.841 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 -177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.505 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 20.3 Cg_endo -66.4 -31.76 42.07 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.364 2.043 . . . . 0.0 112.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 25.8 m -64.48 -38.48 91.15 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.975 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -67.32 -41.77 84.76 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.3 tp -64.74 -46.58 81.61 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.751 0.31 . . . . 0.0 110.92 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -61.61 -37.07 82.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.042 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.9 ttp180 -69.8 -39.69 76.43 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 116.728 -0.214 . . . . 0.0 110.806 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -59.03 -33.8 71.17 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.723 0.297 . . . . 0.0 110.985 174.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -58.4 -31.27 67.53 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 120.697 0.284 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -59.55 -25.73 64.78 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.271 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.461 HG22 " H2'" ' B' ' 5' ' ' ' C' . 38.4 t -61.74 -42.0 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-O 120.605 0.241 . . . . 0.0 110.651 175.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -77.05 -30.29 55.52 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.267 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.96 -29.01 64.9 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.63 174.58 48.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 116.307 -0.406 . . . . 0.0 112.587 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.17 94.87 44.65 Favored Pre-proline 0 C--O 1.236 0.383 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.78 142.25 15.81 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 122.407 2.071 . . . . 0.0 112.361 -173.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.48 141.37 50.21 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -141.98 12.01 2.02 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.628 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -67.08 -23.56 65.86 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.105 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -151.23 145.32 25.3 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.844 0.354 . . . . 0.0 110.739 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.77 -28.26 68.9 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.491 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 61.3 m -94.86 18.97 10.84 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.252 0.221 . . . . 0.0 111.127 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 7.0 t -114.47 135.08 54.5 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.18 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 30.4 m -136.09 16.49 3.25 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.46 -172.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -62.43 142.11 58.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.645 0.259 . . . . 0.0 110.837 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.4 t -128.22 122.64 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-O 120.849 0.356 . . . . 0.0 110.369 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.53 132.65 11.22 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.12 -15.54 63.78 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 122.824 -0.221 . . . . 0.0 111.148 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.92 162.17 41.32 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 120.78 0.324 . . . . 0.0 110.359 175.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.447 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.7 t-105 -57.72 -40.5 79.72 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.333 -175.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.1 p -57.02 -47.63 80.41 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.18 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.87 -35.47 78.41 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 116.846 -0.161 . . . . 0.0 111.297 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -69.38 -48.08 62.25 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.652 0.263 . . . . 0.0 110.665 175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 177' ' ' TRP . 37.6 mt -59.99 -41.9 93.06 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.063 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -65.07 -41.55 94.96 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.977 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.84 -43.14 99.45 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 120.691 0.282 . . . . 0.0 110.706 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 t -62.23 -45.0 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.112 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.03 -32.55 73.95 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 120.732 0.301 . . . . 0.0 111.016 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -89.3 -30.09 18.7 Favored 'General case' 0 CA--C 1.559 1.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.931 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.0 m -109.39 -20.97 12.73 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -169.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -133.92 11.41 3.96 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -143.47 174.74 10.49 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 120.887 0.375 . . . . 0.0 110.604 175.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.983 0 C4'-C3'-C2' 99.237 -3.463 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.474 -3.226 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.137 0 C4'-C3'-C2' 98.734 -3.966 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.571 -3.129 . 0.95 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.461 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.539 2.219 1 O5'-C5'-C4' 115.954 4.11 . 0.313 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.67 0 O4'-C4'-C3' 110.569 3.62 . 0.658 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 P-O3'-C3' 123.501 3.167 . 0.59 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 1 C3'-C2'-C1' 97.55 -4.388 . 0.666 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.432 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C4'-C3'-C2' 99.271 -3.429 . 0.695 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 0 C4'-C3'-C2' 99.646 -3.054 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 C5'-C4'-O4' 115.15 4.25 . 0.259 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.608 0 C5'-C4'-C3' 110.041 -3.64 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.499 0 C3'-C2'-C1' 99.695 -2.006 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.607 -3.262 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.845 0 C5'-C4'-O4' 114.119 3.513 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 98.76 -3.94 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.367 -4.333 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.494 0 C4'-C3'-C2' 99.334 -3.366 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 1 C5'-C4'-O4' 114.93 4.093 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.911 0 C4'-C3'-C2' 98.809 -3.891 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C4'-C3'-C2' 98.7 -4.0 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C5'-C4'-O4' 112.802 2.573 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 1 C5'-C4'-C3' 108.551 -4.633 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 C5'-C4'-O4' 113.259 2.899 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.516 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 2.0 1 C3'-C2'-C1' 96.298 -5.779 . 0.6 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.617 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-C2' 101.009 -3.851 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 P-O3'-C3' 124.154 3.711 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.754 0 C4'-C3'-C2' 100.044 -2.656 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 C4'-C3'-C2' 99.233 -3.467 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.965 0 C4'-C3'-C2' 99.08 -3.62 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.122 0 C5'-C4'-O4' 112.815 2.582 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 C4'-C3'-C2' 99.257 -3.443 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.145 0 C3'-C2'-C1' 102.889 1.544 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.533 0 O5'-C5'-C4' 112.769 1.835 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O5'-C5'-C4' 113.925 2.66 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 P-O3'-C3' 122.968 2.723 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 1 C4'-C3'-C2' 96.985 -5.715 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 1 C5'-C4'-O4' 115.352 4.394 . 0.531 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.366 1 C4'-C3'-C2' 98.381 -4.319 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.697 0 C4'-C3'-C2' 98.962 -3.738 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.629 -3.071 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 100.777 -1.923 . 0.943 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.928 0 O5'-C5'-C4' 114.357 2.969 . 0.197 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 99.488 -3.212 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 98.98 -3.72 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 C4'-C3'-C2' 98.641 -4.059 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 0 C4'-C3'-C2' 98.792 -3.908 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 98.775 -3.925 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.789 1 C4'-C3'-C2' 98.51 -4.19 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.999 0 C4'-C3'-C2' 99.312 -3.388 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 0 O4'-C4'-C3' 109.716 3.012 . 0.581 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C5'-C4'-C3' 110.9 -3.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.095 0 C4'-C3'-C2' 98.913 -3.787 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.941 0 C4'-C3'-C2' 98.981 -3.719 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 99.863 -2.837 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -109.1 123.4 49.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.322 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -111.18 139.16 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -169.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.42 128.7 33.99 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.428 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -110.61 24.35 13.07 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.881 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.12 25.02 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.84 114.72 2.01 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 120.84 0.352 . . . . 0.0 111.246 -172.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.5 t30 69.76 15.07 8.06 Favored 'General case' 0 CA--C 1.563 1.472 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.7 t -84.89 -79.18 0.23 Allowed 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.69 15.15 77.81 Favored Glycine 0 CA--C 1.556 2.61 0 CA-C-N 116.337 -0.392 . . . . 0.0 113.421 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.2 tttp -70.57 143.31 51.61 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 117.495 0.648 . . . . 0.0 110.669 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.69 137.41 54.92 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.873 0.368 . . . . 0.0 111.121 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -126.23 156.24 40.58 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.224 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.518 ' HE3' ' HZ1' ' A' ' 118' ' ' LYS . 37.2 tttp -65.39 -40.45 93.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.247 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.518 ' HZ1' ' HE3' ' A' ' 117' ' ' LYS . 12.9 mmtp -133.92 147.26 51.07 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.769 0.319 . . . . 0.0 110.725 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -63.06 -28.81 70.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.626 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -64.5 -31.91 73.32 Favored 'General case' 0 CA--C 1.554 1.134 0 O-C-N 122.445 -0.159 . . . . 0.0 111.02 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -73.09 -37.53 66.71 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 120.731 0.3 . . . . 0.0 110.82 172.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.0 tp -61.47 -47.1 87.19 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-O 120.814 0.34 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -58.12 -41.11 82.92 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.797 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 148' ' ' LEU . 10.2 t -59.97 -41.23 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.967 176.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.8 t60 -69.16 -45.03 71.05 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.255 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.5 -31.82 73.09 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 120.431 0.158 . . . . 0.0 111.252 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -28.88 55.05 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.959 175.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -68.47 -46.62 69.24 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.407 -0.183 . . . . 0.0 111.232 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -64.07 -36.4 83.89 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 120.732 0.301 . . . . 0.0 110.988 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.4 -18.68 41.08 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.68 31.68 17.86 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.383 0.673 . . . . 0.0 111.902 -175.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -130.56 156.42 44.86 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.384 169.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.3 mt -94.48 131.38 31.13 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.924 -171.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -78.51 -36.94 0.78 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.568 2.179 . . . . 0.0 113.345 -170.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.55 96.69 7.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.535 -169.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.93 143.03 30.62 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.814 0.34 . . . . 0.0 110.932 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.7 t -76.06 120.8 83.26 Favored Pre-proline 0 CA--C 1.562 1.434 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.469 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.24 4.74 4.6 Favored 'Trans proline' 0 CA--C 1.551 1.34 0 C-N-CA 122.827 2.351 . . . . 0.0 113.2 -173.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -65.84 149.25 50.47 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.137 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.91 121.69 15.22 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.45 0.2 79.85 Favored Glycine 0 CA--C 1.546 2.019 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.723 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.21 152.5 24.0 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.776 0.322 . . . . 0.0 110.685 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -145.92 11.7 1.24 Allowed 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.27 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 146.84 53.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.902 0.382 . . . . 0.0 110.749 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 -132.88 152.96 51.78 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -133.75 157.53 45.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.07 -169.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 124' ' ' VAL . 5.1 p -80.9 -28.02 36.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.43 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -128.98 154.87 80.39 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-O 120.731 0.301 . . . . 0.0 110.849 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 24.8 Cg_endo -66.76 -34.93 29.64 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.363 2.042 . . . . 0.0 112.082 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.5 p -64.01 -34.71 78.62 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.053 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -72.92 -38.14 66.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.0 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.94 -46.42 78.25 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 172.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.01 -40.11 79.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.944 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -72.35 -36.91 68.9 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.989 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -59.01 -33.72 71.05 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.796 0.331 . . . . 0.0 110.926 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -58.38 -30.55 66.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.749 0.309 . . . . 0.0 110.694 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.53 -25.71 64.73 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.345 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.443 HG22 " H2'" ' B' ' 5' ' ' ' C' . 39.2 t -61.83 -42.32 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 CA-C-O 120.669 0.271 . . . . 0.0 110.538 174.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -76.27 -29.31 57.38 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.19 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -29.01 64.91 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.623 0.249 . . . . 0.0 110.895 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.68 173.98 48.15 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 116.408 -0.36 . . . . 0.0 112.501 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -124.09 94.67 45.1 Favored Pre-proline 0 C--O 1.237 0.43 0 C-N-CA 122.53 0.332 . . . . 0.0 110.109 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.48 139.7 13.01 Favored 'Trans proline' 0 N--CA 1.441 -1.592 0 C-N-CA 122.239 1.959 . . . . 0.0 112.19 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.86 141.3 53.23 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.035 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -139.84 11.66 2.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.433 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -68.1 -21.92 64.93 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.081 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -149.19 141.45 24.08 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.408 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -68.36 -21.4 64.73 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.555 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 67.2 m -99.45 17.17 20.94 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.149 0.18 . . . . 0.0 111.31 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -92.78 159.55 15.35 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.1 p -149.36 2.54 0.56 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -65.37 138.49 58.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.728 0.299 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 44.5 t -128.24 120.63 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.233 169.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.16 136.89 14.88 Favored Glycine 0 N--CA 1.476 1.335 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.147 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -65.96 -19.09 65.75 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 122.722 -0.281 . . . . 0.0 111.068 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -150.08 162.09 41.09 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.906 0.384 . . . . 0.0 110.668 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.1 t-105 -57.74 -40.94 80.85 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.374 -175.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.6 p -56.99 -46.14 82.45 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.168 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.7 -33.37 75.49 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.346 -175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -71.01 -48.09 55.04 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.658 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 177' ' ' TRP . 71.2 mt -60.15 -41.4 92.67 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.03 -43.39 95.74 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.973 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -61.85 -40.23 94.59 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 16.3 t -62.28 -45.11 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.95 71.59 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.757 -0.202 . . . . 0.0 111.268 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -89.26 -43.03 11.26 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 5.9 t -94.11 -20.45 19.88 Favored 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -169.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -129.91 48.68 2.36 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 121.087 0.47 . . . . 0.0 110.72 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -50.91 -37.07 41.7 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.365 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 N--CA 1.475 0.775 0 CA-C-O 120.941 0.4 . . . . 0.0 110.827 179.621 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C4'-C3'-C2' 99.135 -3.565 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.883 0 C4'-C3'-C2' 99.42 -3.28 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.133 0 C4'-C3'-C2' 98.826 -3.874 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.717 -2.983 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.443 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.541 2.408 0 O5'-C5'-C4' 115.618 3.87 . 0.313 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.652 1 O4'-C4'-C3' 111.173 4.052 . 0.651 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 P-O3'-C3' 124.244 3.787 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 C3'-C2'-C1' 97.585 -4.35 . 0.66 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.4 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C4'-C3'-C2' 99.12 -3.58 . 0.694 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.987 0 C4'-C3'-C2' 99.831 -2.869 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 1 C5'-C4'-O4' 114.963 4.117 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.963 0 C5'-C4'-O4' 113.65 3.178 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C3'-C2'-C1' 99.168 -2.591 . 0.186 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.464 0 O5'-C5'-C4' 114.814 3.296 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.795 0 C5'-C4'-O4' 114.32 3.657 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 1 C4'-C3'-C2' 98.651 -4.049 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.04 1 C4'-C3'-C2' 98.234 -4.466 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.469 1 C4'-C3'-C2' 98.242 -4.458 . 0.931 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.188 -3.512 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 1 C4'-C3'-C2' 98.392 -4.308 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 98.89 -3.81 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.965 -2.735 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C5'-C4'-C3' 109.581 -3.946 . 0.615 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 1 C5'-C4'-O4' 114.866 4.047 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 1 C3'-C2'-C1' 95.985 -6.128 . 0.32 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.083 0 C3'-C2'-C1' 98.057 -3.825 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 P-O3'-C3' 124.544 4.037 . 0.725 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.718 0 C4'-C3'-C2' 99.721 -2.979 . 0.477 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 0 C4'-C3'-C2' 98.963 -3.737 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.899 0 C4'-C3'-C2' 98.979 -3.721 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 0 C5'-C4'-O4' 112.772 2.552 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 C4'-C3'-C2' 99.201 -3.499 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C3'-C2'-C1' 102.885 1.539 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.503 0 O5'-C5'-C4' 112.699 1.785 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O5'-C5'-C4' 113.98 2.7 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 P-O3'-C3' 123.014 2.762 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.023 1 C4'-C3'-C2' 96.925 -5.775 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 1 C5'-C4'-O4' 115.348 4.392 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 1 C4'-C3'-C2' 98.108 -4.592 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.858 0 C4'-C3'-C2' 98.84 -3.86 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.119 0 C4'-C3'-C2' 99.391 -3.309 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C4'-C3'-C2' 101.025 -1.675 . 0.931 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.811 0 P-O3'-C3' 123.131 2.859 . 0.198 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.307 -3.393 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 98.845 -3.855 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 1 C4'-C3'-C2' 98.523 -4.177 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C4'-C3'-C2' 98.732 -3.968 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C4'-C3'-C2' 98.769 -3.931 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.785 1 C4'-C3'-C2' 98.617 -4.083 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.993 0 C4'-C3'-C2' 99.538 -3.162 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.339 0 O4'-C4'-C3' 109.818 3.084 . 0.576 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.686 0 C5'-C4'-C3' 110.49 -3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 98.74 -3.96 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 C4'-C3'-C2' 99.019 -3.681 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.957 -2.743 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 120.773 0.321 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -109.16 123.1 48.66 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.31 -176.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.1 t -111.09 139.15 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.602 -169.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.17 128.93 34.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.467 171.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -111.11 24.89 12.35 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -61.62 155.12 23.21 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.09 170.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -56.05 114.68 2.04 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 120.851 0.358 . . . . 0.0 111.166 -172.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.4 t30 69.76 15.0 8.06 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.627 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.2 t -85.59 -79.02 0.25 Allowed 'General case' 0 CA--C 1.562 1.426 0 CA-C-O 120.698 0.285 . . . . 0.0 110.983 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.68 15.13 75.54 Favored Glycine 0 CA--C 1.553 2.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.39 175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 40.1 tttp -69.74 142.65 53.23 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 117.509 0.654 . . . . 0.0 110.573 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -121.53 136.95 54.92 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.986 0.422 . . . . 0.0 111.19 -173.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -126.05 156.75 39.47 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.009 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -61.32 -44.66 96.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.943 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.542 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 13.2 mttp -137.98 153.75 49.41 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 120.757 0.313 . . . . 0.0 111.272 -169.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -63.65 -28.8 70.16 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.664 -172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -63.89 -36.93 85.56 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 122.415 -0.178 . . . . 0.0 110.948 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -73.05 -35.63 66.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.676 0.275 . . . . 0.0 110.723 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.7 tp -62.18 -47.19 85.59 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 120.743 0.306 . . . . 0.0 110.66 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -61.95 -38.35 88.16 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.784 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.607 HG21 HD23 ' A' ' 148' ' ' LEU . 7.9 t -60.02 -41.13 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 76.9 t60 -68.51 -44.89 73.67 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.188 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.45 -31.72 72.96 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.394 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -28.84 54.33 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 120.415 0.15 . . . . 0.0 110.81 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.1 t -67.91 -46.67 70.92 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.265 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.41 -36.4 84.02 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 120.736 0.303 . . . . 0.0 111.023 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.8 p -82.15 -18.48 42.67 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.95 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.51 30.81 15.85 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.4 0.68 . . . . 0.0 111.97 -176.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -128.88 156.34 43.82 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 120.75 0.31 . . . . 0.0 110.333 169.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 42.4 mt -96.4 131.35 28.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.103 -169.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -79.04 -36.93 0.62 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.604 2.203 . . . . 0.0 113.276 -171.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.1 m-85 -96.79 92.54 6.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.98 0.419 . . . . 0.0 110.668 -169.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -95.19 140.19 30.45 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.665 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 44.0 t -73.96 119.85 78.3 Favored Pre-proline 0 CA--C 1.564 1.509 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.443 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.55 5.29 4.78 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 C-N-CA 122.854 2.369 . . . . 0.0 113.221 -173.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.17 147.04 54.18 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -176.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.8 118.79 10.16 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 93.89 1.48 65.41 Favored Glycine 0 CA--C 1.544 1.905 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.691 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.3 t -110.99 154.04 24.71 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.86 0.362 . . . . 0.0 110.699 178.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.55 13.4 1.36 Allowed 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.26 -177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -65.25 145.27 56.45 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.713 178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -133.49 151.75 51.81 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -134.05 160.49 37.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.302 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.9 p -84.99 -22.28 29.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.497 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.607 HD23 HG21 ' A' ' 124' ' ' VAL . 17.8 mt -138.49 153.59 72.75 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-O 120.703 0.287 . . . . 0.0 110.883 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 31.6 Cg_endo -67.14 -30.58 37.98 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.521 2.147 . . . . 0.0 112.206 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.3 p -64.02 -39.01 93.14 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -37.48 66.96 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.05 -44.48 92.35 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 120.774 0.321 . . . . 0.0 110.705 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -63.09 -38.61 91.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.736 -0.211 . . . . 0.0 110.939 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 36.9 mtm-85 -69.84 -33.74 72.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.772 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -64.24 -36.38 83.89 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 120.579 0.228 . . . . 0.0 110.777 172.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.74 -31.58 68.44 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.713 0.292 . . . . 0.0 110.986 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.0 -25.67 65.46 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.153 176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.522 HG22 " H2'" ' B' ' 5' ' ' ' C' . 22.8 t -61.79 -42.18 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-O 120.859 0.362 . . . . 0.0 110.294 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -77.08 -32.32 56.61 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.01 -29.0 64.82 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 120.678 0.275 . . . . 0.0 110.925 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.1 169.71 39.55 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.47 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.09 94.78 44.92 Favored Pre-proline 0 N--CA 1.468 0.445 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -81.22 145.02 15.0 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 122.452 2.101 . . . . 0.0 112.64 -171.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.8 t -72.41 143.22 48.61 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.058 177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -142.08 13.1 2.03 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.33 173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.2 -22.07 64.83 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.119 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -150.43 145.16 25.88 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 120.764 0.316 . . . . 0.0 110.736 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.55 -29.01 69.57 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.497 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 56.8 m -97.23 19.25 13.37 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.189 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 15.8 t -113.23 133.65 54.98 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.167 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.2 m -132.87 15.75 4.28 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.465 -172.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -60.05 138.41 57.87 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.693 0.282 . . . . 0.0 110.894 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 43.2 t -128.32 121.11 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.37 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.96 142.4 18.33 Favored Glycine 0 N--CA 1.478 1.438 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.169 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.71 -17.75 62.19 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-O 120.428 0.156 . . . . 0.0 111.264 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.28 160.12 42.87 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.845 0.355 . . . . 0.0 110.598 176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.02 -38.79 76.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.216 -175.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.1 p -57.65 -46.24 84.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.165 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 75.7 mt -63.17 -34.06 76.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.266 -175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -69.82 -48.1 60.3 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.591 0.234 . . . . 0.0 110.601 175.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 67.1 mt -60.24 -41.31 92.9 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -63.99 -42.62 97.13 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -61.9 -40.91 97.09 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.879 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 11.4 t -61.98 -45.09 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.093 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.59 -28.53 69.7 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-O 120.609 0.242 . . . . 0.0 111.089 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -89.42 -43.95 10.51 Favored 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.591 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 92.6 m -97.45 -18.3 19.14 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -133.42 39.83 3.2 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.085 0.469 . . . . 0.0 110.786 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.2 -29.75 70.59 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 179.442 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.157 0 C4'-C3'-C2' 99.297 -3.403 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.245 -3.455 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 C4'-C3'-C2' 98.785 -3.915 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.53 -3.17 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.522 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.501 -2.73 0 O5'-C5'-C4' 115.369 3.692 . 0.373 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O5'-C5'-C4' 115.307 3.648 . 0.646 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 O5'-C5'-C4' 115.492 3.78 . 0.531 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 1 C3'-C2'-C1' 96.809 -5.212 . 0.637 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.415 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.35 -3.35 . 0.691 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.927 0 C4'-C3'-C2' 99.632 -3.068 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 1 C5'-C4'-O4' 115.153 4.252 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.614 0 C5'-C4'-C3' 110.106 -3.596 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 O5'-C5'-C4' 112.678 1.77 . 0.115 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.428 -3.382 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.901 0 C5'-C4'-C3' 110.114 -3.591 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 98.963 -3.737 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.401 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.974 0 C4'-C3'-C2' 98.829 -3.871 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . 0.401 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.371 1 C4'-C3'-C2' 98.304 -4.396 . 0.911 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.961 1 C4'-C3'-C2' 98.297 -4.403 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 C4'-C3'-C2' 98.999 -3.701 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.929 0 C4'-C3'-C2' 98.864 -3.836 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 C4'-C3'-C2' 99.827 -2.873 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 0 C5'-C4'-C3' 109.575 -3.95 . 0.583 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 1 C5'-C4'-O4' 115.15 4.25 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 C3'-C2'-C1' 95.86 -6.267 . 0.347 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.542 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.546 2.785 0 C4'-C3'-C2' 98.755 -3.945 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 0 P-O3'-C3' 124.198 3.749 . 0.688 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.713 0 P-O3'-C3' 122.775 2.563 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 C4'-C3'-C2' 99.244 -3.456 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 98.976 -3.724 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.314 0 C5'-C4'-O4' 112.823 2.588 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 99.303 -3.397 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.475 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.161 0 C3'-C2'-C1' 102.9 1.556 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.568 0 O5'-C5'-C4' 112.801 1.858 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.475 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 O5'-C5'-C4' 113.973 2.695 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 P-O3'-C3' 123.065 2.804 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.052 1 C4'-C3'-C2' 96.973 -5.727 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 1 C5'-C4'-O4' 115.378 4.413 . 0.524 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 C4'-C3'-C2' 98.251 -4.449 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.745 0 C4'-C3'-C2' 99.507 -3.193 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.084 0 C4'-C3'-C2' 99.568 -3.132 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 100.972 -1.728 . 0.942 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.767 0 P-O3'-C3' 123.165 2.888 . 0.202 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C4'-C3'-C2' 99.373 -3.327 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 98.917 -3.783 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 1 C4'-C3'-C2' 98.685 -4.015 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 98.835 -3.865 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 98.945 -3.755 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 1 C4'-C3'-C2' 98.627 -4.073 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 C4'-C3'-C2' 99.272 -3.428 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.091 0 O4'-C4'-C3' 109.979 3.199 . 0.541 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.551 0 C5'-C4'-C3' 111.028 -2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 98.805 -3.895 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.075 0 C4'-C3'-C2' 99.122 -3.578 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.975 -2.725 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 120.765 0.317 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -109.07 123.96 50.0 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.311 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.7 t -112.9 139.17 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.444 -169.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.6 t -77.84 127.64 32.72 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.387 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -109.59 24.08 13.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.948 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.94 153.89 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 170.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.75 114.68 1.98 Allowed 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 120.795 0.331 . . . . 0.0 111.222 -172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.9 t30 69.74 15.2 8.06 Favored 'General case' 0 CA--C 1.564 1.491 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.676 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.3 t -84.9 -78.63 0.24 Allowed 'General case' 0 CA--C 1.561 1.373 0 CA-C-O 120.759 0.314 . . . . 0.0 111.016 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.95 77.21 Favored Glycine 0 CA--C 1.554 2.478 0 CA-C-N 116.407 -0.36 . . . . 0.0 113.474 174.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.0 tttp -70.08 143.14 52.53 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 117.45 0.625 . . . . 0.0 110.63 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.29 137.49 54.84 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 120.967 0.413 . . . . 0.0 111.124 -173.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.17 151.51 47.23 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.041 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.49 -34.49 78.33 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.03 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.474 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 30.6 mmtm -137.81 150.16 46.96 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 120.88 0.372 . . . . 0.0 111.153 -174.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -65.2 -28.47 69.41 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.836 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -34.7 78.43 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 122.253 -0.279 . . . . 0.0 110.551 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -73.15 -36.69 66.7 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.573 0.225 . . . . 0.0 110.696 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.83 -47.19 86.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 120.769 0.318 . . . . 0.0 110.518 175.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -59.79 -40.14 87.32 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.642 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.565 HG21 HD13 ' A' ' 148' ' ' LEU . 5.9 t -60.8 -41.14 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.932 175.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.8 t60 -68.7 -45.07 72.57 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 120.65 0.262 . . . . 0.0 111.241 -177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.63 -31.75 72.94 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.342 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -28.89 54.06 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.449 0.166 . . . . 0.0 110.845 175.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.78 -46.73 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 122.403 -0.185 . . . . 0.0 111.236 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -64.49 -36.39 84.03 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 120.713 0.292 . . . . 0.0 111.089 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.2 p -82.17 -18.63 42.11 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.43 31.51 17.04 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 123.39 0.676 . . . . 0.0 111.913 -175.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -129.65 155.78 45.3 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 169.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -95.47 132.57 27.35 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.18 -169.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -78.78 -37.11 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.584 2.19 . . . . 0.0 113.235 -171.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -97.66 92.05 5.7 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 120.927 0.394 . . . . 0.0 110.52 -169.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -96.2 140.93 30.19 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.5 t -73.9 120.66 82.38 Favored Pre-proline 0 CA--C 1.567 1.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.455 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -88.99 6.08 4.75 Favored 'Trans proline' 0 CA--C 1.552 1.394 0 C-N-CA 122.838 2.359 . . . . 0.0 113.318 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -62.37 143.38 57.07 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.005 0.431 . . . . 0.0 110.997 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.24 103.42 1.58 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.8 -1.52 28.85 Favored Glycine 0 CA--C 1.545 1.945 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.506 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.73 157.96 16.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.794 0.33 . . . . 0.0 110.636 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -145.78 10.79 1.22 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.433 -177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.76 144.41 56.34 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.818 0.342 . . . . 0.0 110.756 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -135.19 153.3 52.0 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.376 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -134.04 158.19 44.19 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.977 -169.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.0 p -82.15 -28.05 32.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -132.56 153.04 81.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.636 0.255 . . . . 0.0 110.597 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 29.2 Cg_endo -66.68 -28.5 44.16 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.551 2.168 . . . . 0.0 112.445 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.5 p -67.0 -37.77 84.81 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 -37.08 69.62 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.792 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.7 tp -63.64 -43.8 95.72 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 120.718 0.294 . . . . 0.0 110.591 171.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -57.4 -42.07 81.55 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.88 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -37.74 86.15 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 116.75 -0.204 . . . . 0.0 110.914 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.41 -37.93 89.17 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.501 0.191 . . . . 0.0 111.241 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.71 -31.32 68.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.628 0.252 . . . . 0.0 110.944 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -59.72 -25.73 65.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.153 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.496 HG22 " H2'" ' B' ' 5' ' ' ' C' . 35.5 t -61.7 -41.91 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-O 120.741 0.305 . . . . 0.0 110.454 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -77.06 -30.68 55.65 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.268 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.9 -28.97 64.93 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 120.615 0.245 . . . . 0.0 110.949 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 92.49 170.66 40.78 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-N 116.404 -0.362 . . . . 0.0 112.33 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -124.08 94.75 45.0 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -80.6 145.19 16.23 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.488 2.125 . . . . 0.0 112.599 -171.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 142.3 44.42 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.1 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -145.22 13.46 1.42 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.466 172.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -62.72 -26.77 68.85 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.739 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -143.31 142.76 31.43 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.014 171.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.43 -20.39 63.78 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.495 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -96.05 17.16 16.08 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.35 0.26 . . . . 0.0 111.25 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.41 134.85 53.72 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.229 175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.0 m -130.95 15.73 5.21 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.532 -172.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -61.41 139.13 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.34 123.54 60.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -87.65 139.04 15.63 Favored Glycine 0 N--CA 1.477 1.373 0 C-N-CA 121.316 -0.468 . . . . 0.0 112.229 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.26 -24.61 67.95 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.175 0.19 . . . . 0.0 110.993 175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.32 162.24 39.36 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 120.802 0.334 . . . . 0.0 110.719 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.466 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.8 t-105 -58.55 -39.38 80.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.299 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.2 p -57.09 -48.07 79.49 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 120.432 0.158 . . . . 0.0 111.089 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.43 -34.44 76.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.239 -175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -68.63 -48.15 64.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.665 0.269 . . . . 0.0 110.673 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.488 HD22 " H4'" ' B' ' 9' ' ' ' C' . 51.7 mt -60.54 -41.47 94.56 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -65.2 -40.87 94.78 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.978 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -61.83 -41.89 98.35 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.716 0.293 . . . . 0.0 110.682 175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.6 t -63.52 -45.01 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.185 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.15 -33.86 76.74 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 120.819 0.342 . . . . 0.0 111.138 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -89.33 -23.87 22.14 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.4 t -116.73 -19.55 9.89 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -133.79 11.47 4.0 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -142.99 174.27 10.82 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 120.886 0.374 . . . . 0.0 110.569 175.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 N--CA 1.475 0.807 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.702 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 0 C4'-C3'-C2' 99.341 -3.359 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.806 0 C4'-C3'-C2' 99.271 -3.429 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C4'-C3'-C2' 98.886 -3.814 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-C2' 99.979 -2.721 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.496 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.501 -2.657 1 O5'-C5'-C4' 116.141 4.244 . 0.318 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.402 ' C8 ' ' CE2' ' A' ' 177' ' ' TRP . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O5'-C5'-C4' 117.101 4.929 . 0.662 4a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 O5'-C5'-C4' 115.576 3.84 . 0.496 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 1 C3'-C2'-C1' 96.985 -5.016 . 0.622 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.488 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 99.217 -3.483 . 0.684 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 C4'-C3'-C2' 99.776 -2.924 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 C5'-C4'-O4' 115.156 4.255 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.708 0 C5'-C4'-C3' 110.027 -3.648 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.524 0 C4'-C3'-C2' 100.793 -1.907 . 0.112 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.419 0 C5'-C4'-C3' 110.286 -3.476 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.895 0 C5'-C4'-C3' 109.604 -3.931 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 98.969 -3.731 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.02 1 C4'-C3'-C2' 98.61 -4.09 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 C4'-C3'-C2' 100.073 -2.627 . 0.931 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.142 0 C5'-C4'-O4' 114.761 3.972 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 0 C4'-C3'-C2' 98.745 -3.955 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 C4'-C3'-C2' 98.805 -3.895 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 1 C5'-C4'-O4' 114.831 4.022 . 0.478 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C5'-C4'-C3' 110.596 -3.269 . 0.57 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-O4' 112.451 2.322 . 0.512 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.474 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 C3'-C2'-C1' 98.42 -3.423 . 0.607 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.226 4 C5'-C4'-O4' 116.995 5.568 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 P-O3'-C3' 123.91 3.508 . 0.721 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.897 0 C4'-C3'-C2' 99.686 -3.014 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.088 0 C4'-C3'-C2' 99.094 -3.606 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.832 0 C4'-C3'-C2' 99.015 -3.685 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 0 C5'-C4'-O4' 112.679 2.485 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.256 -3.444 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.477 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.073 0 C3'-C2'-C1' 102.852 1.502 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 O5'-C5'-C4' 112.725 1.804 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.88 2.628 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 P-O3'-C3' 123.036 2.78 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C4'-C3'-C2' 96.884 -5.816 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.407 1 C5'-C4'-O4' 115.335 4.382 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 1 C4'-C3'-C2' 98.138 -4.562 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.221 1 O5'-C5'-C4' 115.89 4.064 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 C4'-C3'-C2' 100.039 -2.661 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.017 0 C4'-C3'-C2' 100.861 -1.839 . 0.953 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.795 0 P-O3'-C3' 123.073 2.811 . 0.174 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C4'-C3'-C2' 99.325 -3.375 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 98.916 -3.784 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 1 C4'-C3'-C2' 98.419 -4.281 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 1 C4'-C3'-C2' 98.646 -4.054 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.855 0 C4'-C3'-C2' 98.952 -3.748 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 1.678 0 C4'-C3'-C2' 98.774 -3.926 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 C4'-C3'-C2' 99.418 -3.282 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 0 O4'-C4'-C3' 109.978 3.198 . 0.552 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.597 0 O5'-C5'-C4' 115.057 3.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 1 C4'-C3'-C2' 98.551 -4.149 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.955 0 C4'-C3'-C2' 98.831 -3.869 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C4'-C3'-C2' 100.219 -2.481 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 120.848 0.356 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -109.17 121.98 46.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.206 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -111.72 139.01 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.587 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.66 128.28 33.83 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.487 171.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -110.11 23.89 13.73 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.895 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.78 153.98 27.02 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 170.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -56.42 114.7 2.12 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.218 -171.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 69.7 15.02 8.13 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.732 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.1 t -83.92 -78.95 0.22 Allowed 'General case' 0 CA--C 1.562 1.425 0 CA-C-O 120.669 0.271 . . . . 0.0 111.047 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.18 14.1 79.21 Favored Glycine 0 CA--C 1.554 2.504 0 CA-C-N 116.386 -0.37 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.2 tttp -69.5 143.1 53.57 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 117.539 0.67 . . . . 0.0 110.609 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -124.12 136.12 54.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.894 0.378 . . . . 0.0 111.143 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.25 156.06 40.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.057 -176.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.57 -32.28 58.05 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.023 -178.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.406 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.7 mmtp -123.53 146.32 48.19 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 120.887 0.375 . . . . 0.0 110.986 177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -64.22 -28.5 69.78 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.477 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -63.84 -32.55 74.1 Favored 'General case' 0 CA--C 1.557 1.229 0 O-C-N 122.451 -0.156 . . . . 0.0 110.957 177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.95 -38.22 66.84 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 120.594 0.235 . . . . 0.0 110.711 172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.71 -47.12 87.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 120.885 0.374 . . . . 0.0 110.504 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -59.13 -41.08 87.37 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.73 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 148' ' ' LEU . 10.0 t -60.96 -41.15 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.945 175.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 80.1 t60 -67.72 -44.54 77.41 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.257 -176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.52 -31.87 73.16 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.296 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -28.8 52.89 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.827 -0.169 . . . . 0.0 110.925 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -68.17 -46.89 69.5 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 122.452 -0.155 . . . . 0.0 111.18 176.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -64.22 -36.34 83.76 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 120.795 0.331 . . . . 0.0 111.031 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 70.4 p -81.84 -18.47 43.8 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.05 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.76 32.33 17.29 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 123.326 0.65 . . . . 0.0 111.861 -175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.58 155.43 46.53 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 120.685 0.279 . . . . 0.0 110.318 169.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 40.0 mt -94.52 131.49 30.83 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.074 -170.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.4 ' HG2' ' CE2' ' A' ' 135' ' ' TYR . 9.2 Cg_endo -78.26 -35.2 1.32 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.575 2.184 . . . . 0.0 113.202 -171.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.466 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 77.3 m-85 -101.54 92.38 4.87 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-O 120.943 0.401 . . . . 0.0 110.491 -169.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -96.41 140.28 31.3 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.641 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 40.5 t -73.89 118.96 73.61 Favored Pre-proline 0 CA--C 1.563 1.447 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.43 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -89.95 5.16 4.63 Favored 'Trans proline' 0 CA--C 1.549 1.27 0 C-N-CA 122.801 2.334 . . . . 0.0 113.231 -172.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.92 147.52 53.24 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.975 0.417 . . . . 0.0 111.095 -176.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.29 120.72 13.28 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 92.67 -2.19 72.89 Favored Glycine 0 CA--C 1.546 2.015 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.638 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 7.6 t -106.04 152.49 23.3 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.935 0.398 . . . . 0.0 110.632 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -144.44 12.21 1.52 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.36 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 144.72 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 120.831 0.348 . . . . 0.0 110.729 177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.4 153.92 51.2 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.289 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -134.07 157.17 46.83 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.128 -169.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 p -83.69 -26.12 30.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.408 -175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 124' ' ' VAL . 4.2 mm? -130.43 155.09 81.56 Favored Pre-proline 0 N--CA 1.481 1.116 0 C-N-CA 122.281 0.233 . . . . 0.0 110.647 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.466 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 21.0 Cg_endo -67.57 -34.0 26.97 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.36 2.04 . . . . 0.0 112.144 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.9 p -62.46 -35.59 79.78 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.097 176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -72.92 -37.94 67.04 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.912 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 31.1 tp -65.93 -45.42 81.92 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 120.81 0.338 . . . . 0.0 110.778 172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -59.63 -39.18 83.46 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.008 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -70.44 -38.06 74.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.814 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -60.93 -33.82 73.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.668 0.271 . . . . 0.0 111.065 174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -58.45 -31.1 67.46 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 120.802 0.334 . . . . 0.0 110.696 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -59.52 -25.74 64.74 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.264 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.43 HG22 " H2'" ' B' ' 5' ' ' ' C' . 38.7 t -61.9 -42.78 95.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-O 120.592 0.234 . . . . 0.0 110.671 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -77.03 -27.36 54.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.269 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.35 64.49 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 120.674 0.273 . . . . 0.0 110.707 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.5 174.7 50.12 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.529 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.14 94.73 44.91 Favored Pre-proline 0 C--O 1.236 0.359 0 C-N-CA 122.477 0.311 . . . . 0.0 110.231 -177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.14 140.41 13.99 Favored 'Trans proline' 0 N--CA 1.443 -1.449 0 C-N-CA 122.205 1.937 . . . . 0.0 112.317 -174.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -70.98 142.01 51.01 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -142.77 12.5 1.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.475 174.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.83 -23.33 66.02 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -150.62 144.84 25.5 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.792 0.33 . . . . 0.0 110.613 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.71 -27.45 68.34 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.485 -175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.3 m -95.51 19.71 10.59 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.142 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.2 t -114.66 134.73 54.84 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.224 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 48.0 m -134.45 15.73 3.72 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.467 -172.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.19 141.86 57.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.642 0.258 . . . . 0.0 110.915 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.31 122.32 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-O 120.847 0.356 . . . . 0.0 110.409 170.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -84.39 133.42 11.82 Favored Glycine 0 N--CA 1.472 1.045 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.115 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -66.06 -17.01 64.42 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 122.865 -0.197 . . . . 0.0 111.197 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.24 163.02 39.82 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.842 0.353 . . . . 0.0 110.491 177.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.424 ' CE2' HD11 ' A' ' 181' ' ' LEU . 27.4 t-105 -57.59 -41.13 80.59 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.326 -176.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.4 p -57.09 -46.56 82.45 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.419 0.152 . . . . 0.0 111.198 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.95 -34.51 77.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.262 -175.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -70.14 -48.06 59.01 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.535 0.207 . . . . 0.0 110.614 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 177' ' ' TRP . 62.0 mt -59.75 -41.82 91.85 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.85 0.357 . . . . 0.0 110.815 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.88 -43.63 95.44 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -61.91 -41.7 98.22 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.77 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 10.3 t -60.86 -45.03 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.052 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.82 78.41 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.075 -176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -89.35 -28.64 19.68 Favored 'General case' 0 CA--C 1.557 1.214 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.8 m -109.77 -20.87 12.64 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -169.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -131.31 7.83 4.61 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -139.73 11.85 2.48 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 120.704 0.288 . . . . 0.0 110.997 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 178.607 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C4'-C3'-C2' 99.394 -3.306 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.183 -3.517 . 0.898 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.952 -3.748 . 0.902 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.797 -2.903 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.43 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 O5'-C5'-C4' 115.641 3.887 . 0.314 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.796 1 O4'-C4'-C3' 111.231 4.093 . 0.653 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 123.845 3.454 . 0.584 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C3'-C2'-C1' 97.765 -4.15 . 0.68 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 98.983 -3.717 . 0.713 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 0 C4'-C3'-C2' 99.533 -3.167 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 C5'-C4'-O4' 114.236 3.597 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.026 0 C5'-C4'-O4' 113.606 3.147 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.492 0 O5'-C5'-C4' 113.575 2.411 . 0.176 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.513 1 C5'-C4'-C3' 108.703 -4.532 . 0.283 4s . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.916 1 C5'-C4'-O4' 116.086 4.919 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 1 C4'-C3'-C2' 98.543 -4.157 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.111 1 C4'-C3'-C2' 98.193 -4.507 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.422 0 C4'-C3'-C2' 99.064 -3.636 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 0 C4'-C3'-C2' 98.996 -3.704 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 C4'-C3'-C2' 98.356 -4.344 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 C4'-C3'-C2' 98.345 -4.355 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 100.278 -2.422 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 1 C5'-C4'-C3' 109.191 -4.206 . 0.754 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-O4' 113.977 3.412 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.903 1 C3'-C2'-C1' 95.732 -6.409 . 0.506 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 C4'-C3'-C2' 99.204 -3.496 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 P-O3'-C3' 124.449 3.957 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.797 0 C4'-C3'-C2' 99.732 -2.968 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 C4'-C3'-C2' 99.081 -3.619 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 0 C4'-C3'-C2' 98.967 -3.733 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.329 0 C5'-C4'-O4' 112.762 2.544 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.199 -3.501 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.475 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C3'-C2'-C1' 102.839 1.488 . 0.883 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.539 0 O5'-C5'-C4' 112.65 1.75 . 0.096 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.475 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 O5'-C5'-C4' 113.944 2.674 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 P-O3'-C3' 123.054 2.795 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.003 1 C4'-C3'-C2' 96.918 -5.782 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.485 1 C5'-C4'-O4' 115.322 4.373 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 C4'-C3'-C2' 98.122 -4.578 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.982 0 O5'-C5'-C4' 115.684 3.917 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.015 0 C4'-C3'-C2' 99.323 -3.377 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 100.812 -1.888 . 0.925 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 P-O3'-C3' 123.066 2.805 . 0.177 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.998 0 C4'-C3'-C2' 99.548 -3.152 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C4'-C3'-C2' 99.049 -3.651 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.298 0 C4'-C3'-C2' 98.738 -3.962 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 1 C4'-C3'-C2' 98.67 -4.03 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 98.715 -3.985 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.749 1 C4'-C3'-C2' 98.551 -4.149 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 C4'-C3'-C2' 99.369 -3.331 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 O4'-C4'-C3' 109.597 2.926 . 0.567 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.716 0 O5'-C5'-C4' 114.435 3.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.825 -3.875 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.963 -3.737 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.862 -2.838 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 CA-C-O 120.755 0.312 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -109.16 124.09 50.27 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.4 t -111.35 139.09 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.612 -169.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.6 t -77.91 128.95 34.74 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.507 171.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -111.1 24.33 13.02 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -177.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.36 154.74 23.21 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 170.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.23 114.73 2.09 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -171.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.65 15.18 8.16 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.678 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.6 t -84.79 -78.94 0.23 Allowed 'General case' 0 CA--C 1.564 1.484 0 CA-C-O 120.69 0.281 . . . . 0.0 111.005 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.2 78.91 Favored Glycine 0 CA--C 1.555 2.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 113.508 174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.33 143.58 51.94 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 117.447 0.623 . . . . 0.0 110.656 179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.58 137.32 54.93 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 120.803 0.335 . . . . 0.0 111.216 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -126.18 156.85 39.52 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.284 -174.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -65.3 -39.56 92.67 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.06 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -134.67 148.64 50.39 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 -172.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -62.9 -28.65 70.2 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.483 -177.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -63.95 -33.72 76.35 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 122.428 -0.17 . . . . 0.0 110.947 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -73.0 -36.42 67.03 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 120.66 0.266 . . . . 0.0 110.814 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -62.11 -47.1 86.13 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 120.657 0.265 . . . . 0.0 110.54 175.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -58.5 -40.69 83.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.682 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 148' ' ' LEU . 10.8 t -59.39 -41.22 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-O 120.749 0.309 . . . . 0.0 111.005 176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 79.4 t60 -70.09 -45.01 67.87 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.181 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -66.3 -31.74 72.72 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 116.816 -0.174 . . . . 0.0 111.278 -177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.78 54.81 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.906 -0.134 . . . . 0.0 110.909 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.3 t -68.29 -46.47 70.23 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 122.474 -0.141 . . . . 0.0 111.262 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.39 83.94 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 120.865 0.364 . . . . 0.0 111.092 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 65.2 p -82.91 -19.53 37.13 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.992 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.25 30.37 18.3 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 123.292 0.637 . . . . 0.0 111.999 -176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -128.92 156.25 44.02 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 169.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.8 mt -95.39 132.13 28.34 Favored Pre-proline 0 CA--C 1.55 0.978 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.171 -170.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.83 -36.1 0.86 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.559 2.173 . . . . 0.0 113.306 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.455 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.4 m-85 -100.37 97.11 7.9 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.528 -169.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -104.58 138.43 40.94 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -174.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 36.3 t -73.87 121.29 84.81 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.413 175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.98 4.88 3.72 Favored 'Trans proline' 0 CA--C 1.551 1.365 0 C-N-CA 122.847 2.365 . . . . 0.0 113.27 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -64.96 147.12 54.01 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.928 0.394 . . . . 0.0 111.121 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.39 120.67 13.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 91.88 -0.84 73.67 Favored Glycine 0 CA--C 1.545 1.955 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.639 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.6 t -110.53 155.14 22.71 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.85 0.357 . . . . 0.0 110.654 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -148.4 14.47 0.98 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.175 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 142.89 58.24 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 120.845 0.355 . . . . 0.0 110.682 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -134.59 149.71 50.63 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.11 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -133.06 158.5 42.59 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.396 -169.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.9 p -84.45 -27.17 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.421 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.657 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.37 155.88 79.37 Favored Pre-proline 0 N--CA 1.482 1.138 0 C-N-CA 122.289 0.236 . . . . 0.0 110.656 -178.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 17.9 Cg_endo -66.57 -36.14 26.89 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 122.284 1.989 . . . . 0.0 112.123 178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.4 m -62.34 -34.39 76.56 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.714 0.292 . . . . 0.0 111.069 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -73.09 -36.86 66.88 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.959 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 38.7 tp -67.73 -44.99 76.31 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.656 0.265 . . . . 0.0 110.66 172.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -57.12 -36.51 70.75 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 120.606 0.241 . . . . 0.0 110.812 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -68.32 -43.45 77.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.861 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -58.98 -34.02 71.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.321 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.57 -31.3 67.88 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 122.347 -0.221 . . . . 0.0 110.949 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -59.67 -26.63 65.72 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.099 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.529 HG22 " H2'" ' B' ' 5' ' ' ' C' . 14.6 t -62.77 -40.75 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-O 120.651 0.262 . . . . 0.0 110.833 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -77.21 -35.03 55.96 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.234 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.02 64.72 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 120.609 0.243 . . . . 0.0 111.102 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 88.26 174.86 47.65 Favored Glycine 0 CA--C 1.535 1.282 0 CA-C-N 116.4 -0.364 . . . . 0.0 112.661 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -124.28 94.73 44.66 Favored Pre-proline 0 C--O 1.235 0.311 0 C-N-CA 122.605 0.362 . . . . 0.0 110.353 -177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.31 141.36 16.03 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.307 2.004 . . . . 0.0 112.385 -174.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.46 140.61 48.37 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.052 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 12.16 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.421 174.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.91 -22.27 65.96 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.167 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -150.59 147.04 26.95 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -65.88 -29.35 69.77 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.507 -175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -96.39 19.12 12.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.607 0.242 . . . . 0.0 111.217 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.72 131.53 56.15 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.204 175.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 69.0 p -134.04 14.67 3.9 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.431 -172.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -58.99 142.43 51.18 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.817 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.3 120.24 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.887 0.375 . . . . 0.0 110.295 171.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.63 133.13 11.6 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.047 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -15.5 61.18 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 122.755 -0.262 . . . . 0.0 111.374 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.96 163.23 39.7 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.755 0.312 . . . . 0.0 110.341 176.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 30.7 t-105 -57.21 -40.35 77.3 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -177.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.5 p -57.94 -47.97 81.32 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.32 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.21 -34.59 76.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.223 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -69.86 -47.99 60.55 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.563 0.221 . . . . 0.0 110.738 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.447 HD22 " H4'" ' B' ' 9' ' ' ' C' . 44.0 mt -60.04 -41.34 92.06 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.987 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -64.03 -42.87 96.96 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.89 -42.1 98.68 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.683 0.278 . . . . 0.0 110.763 176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 t -62.97 -45.01 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.061 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.68 -33.46 75.68 Favored 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.004 -177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -89.27 -26.77 20.99 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.02 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 4.4 t -113.16 -21.68 10.9 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -169.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -131.22 5.52 4.46 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -139.2 16.48 2.61 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 120.691 0.281 . . . . 0.0 111.12 176.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 12.6 t70 . . . . . 0 N--CA 1.476 0.866 0 CA-C-O 121.005 0.431 . . . . 0.0 110.763 177.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.22 0 C4'-C3'-C2' 99.192 -3.508 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.4 -3.3 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 98.779 -3.921 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.722 -2.978 . 0.947 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.529 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.536 2.001 0 O5'-C5'-C4' 115.644 3.889 . 0.305 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.68 0 O4'-C4'-C3' 110.851 3.822 . 0.654 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 P-O3'-C3' 124.214 3.762 . 0.579 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 C3'-C2'-C1' 97.517 -4.426 . 0.684 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.447 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 98.902 -3.798 . 0.692 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.142 0 C4'-C3'-C2' 99.371 -3.329 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 99.295 -3.405 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.86 0 C5'-C4'-C3' 110.953 -3.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 O5'-C5'-C4' 113.442 2.315 . 0.157 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 114.39 2.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 C5'-C4'-C3' 107.356 -5.429 . 0.058 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 0 C4'-C3'-C2' 99.356 -3.344 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 1 C4'-C3'-C2' 98.218 -4.482 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.611 0 C4'-C3'-C2' 99.254 -3.446 . 0.937 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.201 1 C4'-C3'-C2' 98.563 -4.137 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C4'-C3'-C2' 98.114 -4.586 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 98.753 -3.947 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 100.134 -2.566 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-C3' 109.731 -3.846 . 0.64 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C5'-C4'-O4' 114.129 3.521 . 0.322 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.231 1 C3'-C2'-C1' 97.442 -4.509 . 0.412 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.658 2 C5'-C4'-O4' 115.758 4.684 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 P-O3'-C3' 124.042 3.618 . 0.734 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.657 0 C4'-C3'-C2' 99.891 -2.809 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 C4'-C3'-C2' 99.147 -3.553 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.803 0 C4'-C3'-C2' 98.971 -3.729 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.209 0 C5'-C4'-O4' 112.781 2.558 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 C4'-C3'-C2' 99.187 -3.513 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.128 0 C3'-C2'-C1' 102.886 1.54 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 O5'-C5'-C4' 112.816 1.869 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 O5'-C5'-C4' 113.959 2.685 . 0.729 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 P-O3'-C3' 123.075 2.813 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.055 1 C4'-C3'-C2' 96.905 -5.795 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 1 C5'-C4'-O4' 115.339 4.385 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 1 C4'-C3'-C2' 98.158 -4.542 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.748 0 C4'-C3'-C2' 99.135 -3.565 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 99.706 -2.994 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 100.86 -1.84 . 0.942 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.867 0 P-O3'-C3' 123.158 2.881 . 0.177 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.96 0 C4'-C3'-C2' 99.568 -3.132 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 98.826 -3.874 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 C4'-C3'-C2' 98.677 -4.023 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 98.769 -3.931 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 98.888 -3.812 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 1 C4'-C3'-C2' 98.43 -4.27 . 0.852 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 0 C4'-C3'-C2' 99.155 -3.545 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.358 0 O4'-C4'-C3' 109.496 2.855 . 0.672 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 0 O5'-C5'-C4' 115.176 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 1 C4'-C3'-C2' 98.686 -4.014 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.997 0 C4'-C3'-C2' 98.986 -3.714 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.951 -2.749 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 120.841 0.353 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.04 123.04 48.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.309 -176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.4 139.11 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.657 -169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.404 ' HA ' HD11 ' A' ' 122' ' ' LEU . 46.0 t -77.59 129.45 35.64 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.447 171.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -111.49 24.52 12.69 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.869 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.39 154.11 25.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.0 114.75 2.06 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 120.884 0.374 . . . . 0.0 111.222 -171.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.1 t30 69.75 15.16 8.06 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.69 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 48.5 t -84.28 -78.87 0.23 Allowed 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 120.679 0.276 . . . . 0.0 110.967 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.53 14.44 77.53 Favored Glycine 0 CA--C 1.553 2.459 0 CA-C-N 116.368 -0.378 . . . . 0.0 113.375 174.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.5 tttp -70.27 143.04 52.22 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 117.528 0.664 . . . . 0.0 110.608 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.27 137.86 54.7 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -173.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -126.09 151.1 47.66 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.061 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 117' ' ' LYS . 26.2 ttpt -63.84 -34.43 77.91 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.468 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 30.1 mmtm -137.0 147.44 46.26 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.861 0.362 . . . . 0.0 111.312 -174.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -63.92 -28.84 70.1 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.637 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -63.94 -34.81 78.81 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 122.406 -0.183 . . . . 0.0 110.994 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.16 -36.11 66.56 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.629 0.252 . . . . 0.0 110.707 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 107' ' ' CYS . 32.7 tp -60.11 -47.17 87.01 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 120.676 0.274 . . . . 0.0 110.457 175.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.59 -43.79 84.91 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.656 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.593 HG21 HD23 ' A' ' 148' ' ' LEU . 12.4 t -58.69 -41.09 81.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.947 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.42 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.6 t60 -68.41 -45.07 73.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 120.551 0.215 . . . . 0.0 111.145 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -65.06 -31.81 73.21 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.471 0.176 . . . . 0.0 111.349 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.82 53.84 Favored 'General case' 0 CA--C 1.554 1.129 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.828 175.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.6 t -67.91 -47.0 69.99 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 122.393 -0.192 . . . . 0.0 111.327 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -64.16 -36.43 84.04 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 120.805 0.336 . . . . 0.0 111.065 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 76.7 p -81.79 -18.42 44.16 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.99 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.81 32.35 17.45 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.336 0.654 . . . . 0.0 111.843 -175.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.25 155.79 45.71 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 38.7 mt -95.61 132.58 27.16 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-O 120.656 0.265 . . . . 0.0 111.139 -169.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.3 Cg_endo -79.09 -36.78 0.65 Allowed 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.56 2.174 . . . . 0.0 113.265 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.509 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 84.8 m-85 -99.48 93.64 5.99 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.482 -169.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -100.88 142.52 32.23 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.91 0.386 . . . . 0.0 111.031 -177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 37.3 t -73.89 122.99 88.9 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.513 177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -92.68 4.22 3.49 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 122.811 2.341 . . . . 0.0 113.439 -171.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -70.43 150.89 45.77 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.997 0.427 . . . . 0.0 111.014 -176.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.35 134.61 52.94 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 80.37 2.62 89.52 Favored Glycine 0 CA--C 1.55 2.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.733 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -118.93 152.17 36.81 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 120.834 0.35 . . . . 0.0 110.704 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.24 15.9 0.82 Allowed 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.276 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.5 mttp -65.02 148.19 52.1 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.705 0.288 . . . . 0.0 110.646 177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -134.5 151.89 51.43 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -134.05 160.12 38.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.09 -169.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.4 p -86.2 -18.35 32.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 124' ' ' VAL . 21.1 mt -140.47 153.04 68.0 Favored Pre-proline 0 N--CA 1.472 0.663 0 CA-C-O 120.764 0.316 . . . . 0.0 111.098 -178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.509 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 27.6 Cg_endo -66.98 -33.79 31.34 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.716 2.277 . . . . 0.0 112.409 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.0 p -63.8 -37.45 87.42 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -72.44 -39.13 68.07 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.987 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.57 -45.73 91.56 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 120.742 0.306 . . . . 0.0 110.631 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.16 -38.37 79.59 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.944 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.26 -40.61 81.86 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.856 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -61.0 -33.89 73.94 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -58.41 -31.08 67.38 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 120.776 0.322 . . . . 0.0 110.695 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.35 -25.74 64.47 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.084 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.493 HG22 " H2'" ' B' ' 5' ' ' ' C' . 46.2 t -61.78 -42.79 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-O 120.609 0.242 . . . . 0.0 110.47 175.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.05 -30.73 55.77 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.324 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.95 -28.92 64.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 94.48 169.92 37.44 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.295 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -124.07 94.73 45.05 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.87 144.93 13.95 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.45 2.1 . . . . 0.0 112.634 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 140.7 49.96 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.111 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -142.04 12.3 2.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.538 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -68.27 -23.0 64.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.15 145.3 26.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.802 0.334 . . . . 0.0 110.722 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -27.13 67.55 Favored 'General case' 0 CA--C 1.552 1.019 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.53 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.6 m -97.25 20.43 11.48 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.311 0.244 . . . . 0.0 111.128 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 10.5 t -116.53 134.48 54.8 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.223 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.2 m -133.7 16.32 3.96 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.504 -172.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.72 140.3 57.58 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.666 0.269 . . . . 0.0 110.83 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.31 123.62 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.424 170.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -88.7 140.35 15.91 Favored Glycine 0 N--CA 1.477 1.387 0 C-N-CA 121.276 -0.487 . . . . 0.0 112.113 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -67.63 -19.96 65.28 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 122.873 -0.193 . . . . 0.0 111.078 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -149.19 162.61 39.65 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 120.894 0.378 . . . . 0.0 110.644 176.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.417 ' CE2' HD11 ' A' ' 181' ' ' LEU . 24.8 t-105 -57.15 -40.5 77.33 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.387 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.9 p -57.6 -46.02 84.56 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.079 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.75 -36.04 81.77 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 116.774 -0.194 . . . . 0.0 111.258 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -68.84 -48.04 64.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.64 0.257 . . . . 0.0 110.686 175.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 177' ' ' TRP . 34.9 mt -61.09 -39.64 90.71 Favored 'General case' 0 CA--C 1.548 0.904 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -63.99 -43.14 96.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -61.98 -42.79 99.53 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.795 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 9.2 t -62.83 -45.06 99.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.153 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.71 72.94 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.907 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -89.32 -31.02 18.01 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.057 -175.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 79.5 m -110.4 -19.85 12.81 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -169.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -132.57 10.07 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -144.3 173.03 12.12 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.826 0.346 . . . . 0.0 110.685 176.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 CA--C 1.544 0.727 0 CA-C-O 120.974 0.416 . . . . 0.0 110.851 179.651 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.394 0 C4'-C3'-C2' 99.306 -3.394 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 99.282 -3.418 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C4'-C3'-C2' 99.33 -3.37 . 0.881 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C3'-C2'-C1' 103.822 2.58 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.493 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.502 -2.593 0 O3'-P-O5' 108.88 2.568 . 0.279 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 0 O4'-C4'-C3' 110.593 3.638 . 0.582 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 P-O3'-C3' 123.989 3.574 . 0.571 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 1 C3'-C2'-C1' 97.638 -4.291 . 0.651 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.41 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C4'-C3'-C2' 99.141 -3.559 . 0.698 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.911 0 C4'-C3'-C2' 99.94 -2.76 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 1 C5'-C4'-O4' 115.145 4.247 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.712 0 C5'-C4'-C3' 110.055 -3.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.519 0 C3'-C2'-C1' 99.722 -1.975 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.325 0 C5'-C4'-C3' 110.604 -3.264 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.891 0 C5'-C4'-O4' 113.986 3.419 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C4'-C3'-C2' 98.848 -3.852 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 1 C4'-C3'-C2' 98.288 -4.412 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C4'-C3'-C2' 99.065 -3.635 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.946 0 C4'-C3'-C2' 98.938 -3.762 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 1 C4'-C3'-C2' 98.498 -4.202 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 1 C4'-C3'-C2' 98.263 -4.437 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C5'-C4'-O4' 114.408 3.72 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C5'-C4'-C3' 110.468 -3.355 . 0.58 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C5'-C4'-O4' 112.679 2.485 . 0.507 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.468 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 2.04 0 C3'-C2'-C1' 98.455 -3.383 . 0.615 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.331 3 C5'-C4'-O4' 117.011 5.579 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.063 0 P-O3'-C3' 123.959 3.549 . 0.713 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.712 0 C4'-C3'-C2' 100.011 -2.689 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C4'-C3'-C2' 99.232 -3.468 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.026 -3.674 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 C5'-C4'-O4' 112.796 2.569 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C4'-C3'-C2' 99.357 -3.343 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.477 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.004 0 C3'-C2'-C1' 102.967 1.63 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.529 0 O5'-C5'-C4' 112.756 1.826 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 O5'-C5'-C4' 113.927 2.662 . 0.724 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 P-O3'-C3' 123.066 2.805 . 0.362 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 1 C4'-C3'-C2' 96.869 -5.831 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C5'-C4'-O4' 115.357 4.398 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 1 C4'-C3'-C2' 98.228 -4.472 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.687 0 C4'-C3'-C2' 98.921 -3.779 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 C4'-C3'-C2' 99.569 -3.131 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.941 0 C4'-C3'-C2' 100.843 -1.857 . 0.947 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.209 0 P-O3'-C3' 123.219 2.932 . 0.157 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.002 0 C4'-C3'-C2' 99.616 -3.084 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 98.92 -3.78 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 1 C4'-C3'-C2' 98.515 -4.185 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 1 C4'-C3'-C2' 98.681 -4.019 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.919 0 C4'-C3'-C2' 98.767 -3.933 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.739 1 C4'-C3'-C2' 98.666 -4.034 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.966 0 C4'-C3'-C2' 99.524 -3.176 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 O4'-C4'-C3' 109.552 2.894 . 0.638 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.666 0 C5'-C4'-C3' 110.417 -3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C4'-C3'-C2' 98.928 -3.772 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.932 0 C4'-C3'-C2' 99.088 -3.612 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C4'-C3'-C2' 100.035 -2.665 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 120.863 0.363 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -109.19 122.78 48.05 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.312 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.6 139.12 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.634 -169.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.4 127.64 32.9 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.482 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -109.71 23.93 13.75 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 129' ' ' HIS . 7.2 t80 -61.35 153.87 25.55 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 170.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.95 114.68 2.02 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.823 0.344 . . . . 0.0 111.224 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 69.71 15.09 8.1 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.727 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.82 -78.43 0.23 Allowed 'General case' 0 CA--C 1.563 1.467 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.97 13.21 79.23 Favored Glycine 0 CA--C 1.553 2.464 0 CA-C-N 116.35 -0.387 . . . . 0.0 113.433 174.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.421 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.48 143.27 51.78 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 117.462 0.631 . . . . 0.0 110.555 178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.08 137.24 54.89 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 120.977 0.418 . . . . 0.0 111.104 -173.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -126.1 151.34 47.35 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.066 -174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.92 -34.03 76.59 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.091 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HE2' ' N3 ' ' B' ' 25' ' ' ' A' . 29.5 mmtm -137.16 148.72 46.79 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.38 -172.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -65.33 -28.72 69.5 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.523 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -64.38 -38.74 92.08 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 120.506 0.194 . . . . 0.0 110.797 175.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -72.97 -34.1 66.27 Favored 'General case' 0 CA--C 1.548 0.865 0 CA-C-O 120.667 0.27 . . . . 0.0 110.639 175.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.67 -47.08 85.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.69 0.281 . . . . 0.0 110.619 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -61.86 -37.33 84.1 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.722 176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.589 HG21 HD23 ' A' ' 148' ' ' LEU . 5.3 t -60.52 -41.2 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-O 120.77 0.319 . . . . 0.0 110.853 175.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 72.9 t60 -68.31 -44.93 74.3 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 120.644 0.259 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -64.47 -31.74 73.08 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.362 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -28.81 53.85 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 116.804 -0.18 . . . . 0.0 110.799 175.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.1 t -67.77 -47.14 70.05 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 116.898 -0.137 . . . . 0.0 111.264 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 94.6 m-70 -64.06 -36.37 83.78 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.002 178.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 72.7 p -81.66 -18.0 46.08 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.969 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.12 32.72 16.33 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.306 0.642 . . . . 0.0 111.942 -175.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -130.6 156.15 45.35 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 39.7 mt -96.79 132.01 26.89 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.147 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 10.8 Cg_endo -79.91 -38.67 0.34 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.501 2.134 . . . . 0.0 113.304 -171.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 91.6 m-85 -93.66 93.41 8.02 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.888 0.375 . . . . 0.0 110.491 -170.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -97.01 143.12 28.17 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.776 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 39.6 t -74.03 121.12 84.45 Favored Pre-proline 0 CA--C 1.564 1.496 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.349 175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -88.62 4.25 5.57 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 122.822 2.348 . . . . 0.0 113.27 -171.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -63.95 143.78 57.6 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 120.988 0.423 . . . . 0.0 111.044 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.68 113.94 5.2 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -0.67 55.33 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.547 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.4 t -106.87 157.63 17.62 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 120.799 0.333 . . . . 0.0 110.655 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 11.52 0.91 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.445 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.05 146.73 54.02 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 120.754 0.311 . . . . 0.0 110.665 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 36.9 mtp85 -135.04 150.84 50.36 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.491 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -134.02 159.18 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.948 -169.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.5 p -85.61 -19.54 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.542 -174.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.589 HD23 HG21 ' A' ' 124' ' ' VAL . 19.2 mt -143.67 153.77 58.59 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-O 120.733 0.302 . . . . 0.0 110.767 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.2 Cg_endo -64.68 -24.97 61.8 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.648 2.232 . . . . 0.0 112.397 -179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.4 p -66.53 -40.98 89.43 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.536 0.335 . . . . 0.0 111.217 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -73.03 -35.27 66.72 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.082 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 26.2 tp -64.91 -44.2 90.34 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.653 0.263 . . . . 0.0 110.55 171.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -54.89 -44.67 74.33 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.892 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -40.52 91.5 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.752 176.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.15 -39.21 91.85 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.501 0.191 . . . . 0.0 111.277 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -58.7 -31.51 68.3 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 120.579 0.228 . . . . 0.0 110.823 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -59.73 -25.84 65.16 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.152 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.464 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.7 t -61.77 -42.58 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 120.667 0.27 . . . . 0.0 110.736 175.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -76.94 -30.17 55.94 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.283 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.06 65.04 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 120.795 0.331 . . . . 0.0 110.753 175.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 85.71 174.93 50.07 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.554 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.18 94.84 44.69 Favored Pre-proline 0 C--O 1.237 0.438 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -79.83 142.42 15.83 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.356 2.037 . . . . 0.0 112.338 -173.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.7 t -73.65 142.48 46.48 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -142.74 13.23 1.9 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.569 174.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.68 -22.65 65.28 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.6 144.83 25.52 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.873 0.368 . . . . 0.0 110.686 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.75 -26.46 67.74 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.467 -175.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 60.0 m -97.65 20.31 12.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.259 0.223 . . . . 0.0 111.132 -178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 13.0 t -115.14 134.51 55.1 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.26 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 45.7 m -134.05 16.51 3.83 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.437 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -62.33 141.7 58.16 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 120.648 0.261 . . . . 0.0 110.883 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.4 t -128.35 122.37 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 120.884 0.373 . . . . 0.0 110.266 170.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -83.86 131.45 10.4 Favored Glycine 0 N--CA 1.471 0.999 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.054 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -64.11 -18.04 64.03 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 120.617 0.246 . . . . 0.0 111.238 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 161.43 42.1 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.82 0.343 . . . . 0.0 110.337 176.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.442 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.2 t-105 -58.2 -39.87 80.11 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.345 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 16.1 p -56.94 -47.4 80.75 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.497 0.189 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.94 -34.57 76.35 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.273 -175.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.05 -48.04 59.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.59 0.234 . . . . 0.0 110.56 175.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.451 HD22 " H4'" ' B' ' 9' ' ' ' C' . 53.1 mt -60.19 -41.47 93.01 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.685 0.279 . . . . 0.0 111.119 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -69.93 -36.86 75.65 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.101 177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 120.546 0.213 . . . . 0.0 110.714 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 13.1 t -61.74 -44.99 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.04 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.21 -31.7 73.0 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.13 -176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -89.17 -36.6 15.59 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.716 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.1 t -101.24 -22.65 14.59 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -169.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -131.39 36.6 3.77 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 120.873 0.368 . . . . 0.0 111.16 -177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.71 67.39 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 174.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 CA--C 1.545 0.762 0 CA-C-O 121.047 0.451 . . . . 0.0 110.755 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 99.302 -3.398 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C4'-C3'-C2' 99.338 -3.362 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 1 C4'-C3'-C2' 98.683 -4.017 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.172 -3.528 . 0.949 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.464 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.015 0 O5'-C5'-C4' 114.211 2.865 . 0.332 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 0 C3'-C2'-C1' 105.05 3.945 . 0.693 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O5'-C5'-C4' 114.451 3.037 . 0.549 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 1 C3'-C2'-C1' 97.21 -4.767 . 0.643 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.451 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.289 -3.411 . 0.705 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.923 0 C4'-C3'-C2' 99.646 -3.054 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 C5'-C4'-O4' 115.211 4.294 . 0.265 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.69 0 C5'-C4'-C3' 110.065 -3.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.53 0 C4'-C3'-C2' 100.867 -1.833 . 0.114 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C5'-C4'-C3' 110.386 -3.409 . 0.0 OUTLIER '7D dist 4s' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.928 0 C5'-C4'-C3' 109.728 -3.848 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 0 C4'-C3'-C2' 98.985 -3.715 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.992 1 C4'-C3'-C2' 98.515 -4.185 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 0 C4'-C3'-C2' 99.843 -2.857 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.207 0 C5'-C4'-O4' 114.368 3.691 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 C4'-C3'-C2' 98.833 -3.867 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 1 C4'-C3'-C2' 98.596 -4.104 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-O4' 114.614 3.867 . 0.449 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 C5'-C4'-C3' 110.447 -3.369 . 0.557 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-O4' 112.837 2.598 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.428 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.536 1.974 0 C3'-C2'-C1' 98.437 -3.404 . 0.605 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.381 3 C5'-C4'-O4' 116.879 5.485 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 P-O3'-C3' 123.753 3.378 . 0.721 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.747 0 C4'-C3'-C2' 99.865 -2.835 . 0.484 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 C4'-C3'-C2' 99.139 -3.561 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.894 0 C4'-C3'-C2' 98.926 -3.774 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C5'-C4'-O4' 112.822 2.587 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 99.315 -3.385 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.497 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.164 0 C4'-C3'-O3' 114.546 1.518 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.639 0 C4'-C3'-C2' 100.712 -1.988 . 0.067 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.497 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O5'-C5'-C4' 113.708 2.506 . 0.732 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 P-O3'-C3' 123.235 2.946 . 0.364 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.019 1 C4'-C3'-C2' 96.967 -5.733 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.395 1 C5'-C4'-O4' 115.435 4.454 . 0.502 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 1 C4'-C3'-C2' 98.284 -4.416 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.677 0 C4'-C3'-C2' 99.513 -3.187 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 C4'-C3'-C2' 99.438 -3.262 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.972 0 C4'-C3'-C2' 100.737 -1.963 . 0.934 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.124 0 O5'-C5'-C4' 114.288 2.92 . 0.157 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 C4'-C3'-C2' 99.722 -2.978 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.016 -3.684 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 C4'-C3'-C2' 98.571 -4.129 . 0.669 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 C4'-C3'-C2' 98.499 -4.201 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 C4'-C3'-C2' 98.867 -3.833 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.75 1 C4'-C3'-C2' 98.598 -4.102 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.846 0 C4'-C3'-C2' 99.244 -3.456 . 0.917 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.925 0 O4'-C4'-C3' 109.807 3.076 . 0.576 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.566 0 C5'-C4'-C3' 110.467 -3.355 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 98.851 -3.849 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 98.894 -3.806 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 99.805 -2.895 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.723 0 CA-C-O 120.774 0.321 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -109.11 122.14 46.64 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.263 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.96 139.08 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.872 -168.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.412 ' HA ' HD11 ' A' ' 122' ' ' LEU . 53.7 t -78.48 130.12 35.67 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.493 170.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -112.34 24.25 12.76 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.975 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.37 152.95 28.11 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.92 114.76 2.05 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-O 120.991 0.424 . . . . 0.0 111.319 -171.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.83 15.07 7.98 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.726 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 45.8 t -84.75 -78.82 0.24 Allowed 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 120.705 0.288 . . . . 0.0 111.039 -178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.11 78.69 Favored Glycine 0 CA--C 1.552 2.405 0 CA-C-N 116.409 -0.36 . . . . 0.0 113.448 173.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 34.9 tttp -70.89 143.66 50.92 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.471 0.635 . . . . 0.0 110.693 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.47 136.63 54.69 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.857 0.361 . . . . 0.0 111.14 -173.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -126.19 155.67 41.4 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.146 -176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' CG ' ' HG2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -76.14 -31.92 58.84 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.062 -178.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HG2' ' CG ' ' A' ' 117' ' ' LYS . 9.4 mmtp -124.04 146.57 48.47 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 120.778 0.323 . . . . 0.0 111.07 177.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -65.37 -28.63 69.41 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.531 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -63.99 -32.42 73.95 Favored 'General case' 0 CA--C 1.56 1.361 0 O-C-N 122.327 -0.233 . . . . 0.0 110.902 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -71.89 -37.84 70.08 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 120.523 0.202 . . . . 0.0 110.634 171.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 107' ' ' CYS . 33.1 tp -61.01 -47.1 88.0 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.735 0.303 . . . . 0.0 110.687 176.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.32 -43.57 83.43 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.662 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG21 HD13 ' A' ' 148' ' ' LEU . 2.7 t -59.4 -41.29 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.003 176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 81.1 t60 -68.79 -44.61 73.22 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.099 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.12 -36.42 81.7 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -54.95 -33.26 62.13 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.742 176.085 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.4 t -63.76 -34.95 79.03 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 122.454 -0.154 . . . . 0.0 111.409 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -75.78 -36.25 59.85 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 120.753 0.311 . . . . 0.0 110.998 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 44.4 p -80.81 -20.84 41.61 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 53.25 30.84 10.62 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.392 0.677 . . . . 0.0 112.013 -174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -124.63 145.52 49.59 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 168.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 44.5 mt -91.98 130.83 36.97 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-O 120.822 0.344 . . . . 0.0 111.417 -168.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.2 Cg_endo -77.2 -35.7 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.661 2.241 . . . . 0.0 113.149 -171.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.519 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 86.6 m-85 -98.16 91.33 5.21 Favored 'General case' 0 C--O 1.226 -0.142 0 CA-C-O 120.932 0.396 . . . . 0.0 110.393 -170.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -94.81 141.57 28.47 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.581 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.1 t -73.86 120.16 79.85 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.373 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -92.74 5.87 3.21 Favored 'Trans proline' 0 CA--C 1.55 1.316 0 C-N-CA 122.811 2.341 . . . . 0.0 113.274 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -73.78 147.67 43.23 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.01 0.433 . . . . 0.0 111.066 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.21 126.85 29.06 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.48 79.41 Favored Glycine 0 CA--C 1.545 1.951 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.739 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -115.24 152.87 31.91 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -143.58 17.2 1.84 Allowed 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.77 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 146.89 53.32 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.821 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -137.09 149.89 47.66 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 120.826 0.346 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -134.05 157.8 45.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.114 -169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 p -83.86 -27.19 28.87 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.488 -176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.427 HD13 HG21 ' A' ' 124' ' ' VAL . 3.3 mm? -132.19 156.94 79.5 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 122.369 0.267 . . . . 0.0 110.354 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 28.5 Cg_endo -66.94 -27.56 42.94 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.349 2.033 . . . . 0.0 112.287 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.5 p -61.89 -43.04 99.67 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.704 0.288 . . . . 0.0 110.988 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -39.44 83.93 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 33.7 tp -67.02 -47.17 72.25 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.707 0.289 . . . . 0.0 110.87 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -58.94 -37.29 76.37 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -72.45 -37.49 68.54 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.989 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -63.16 -33.97 76.62 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.301 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.57 -30.33 67.07 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.578 0.227 . . . . 0.0 110.777 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.39 -25.8 64.58 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.201 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.441 HG22 " H2'" ' B' ' 5' ' ' ' C' . 41.2 t -61.79 -42.48 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-O 120.556 0.217 . . . . 0.0 110.732 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -76.87 -28.23 55.34 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.166 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.88 -28.95 64.93 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.682 0.277 . . . . 0.0 110.837 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.53 173.43 48.19 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.512 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -124.11 94.64 45.11 Favored Pre-proline 0 C--O 1.236 0.381 0 C-N-CA 122.482 0.313 . . . . 0.0 110.237 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.92 140.0 12.45 Favored 'Trans proline' 0 N--CA 1.443 -1.455 0 C-N-CA 122.265 1.977 . . . . 0.0 112.226 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 3.9 t -70.87 141.71 51.22 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 42.7 tttm -142.97 12.44 1.83 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.421 174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.01 -22.9 65.88 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -149.21 145.0 26.91 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.802 0.334 . . . . 0.0 110.555 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 -28.11 69.48 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.383 -176.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.2 p -93.41 13.99 19.92 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.429 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.71 158.02 15.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 120.676 0.274 . . . . 0.0 110.322 173.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.6 p -152.23 6.79 0.44 Allowed 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -65.25 141.21 58.71 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.699 0.285 . . . . 0.0 110.984 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.26 122.17 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.236 169.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.06 134.13 12.37 Favored Glycine 0 N--CA 1.474 1.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.092 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.83 -16.28 64.02 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 122.847 -0.208 . . . . 0.0 111.235 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 163.09 39.53 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 120.869 0.366 . . . . 0.0 110.503 176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.43 ' CE2' HD11 ' A' ' 181' ' ' LEU . 26.1 t-105 -57.67 -41.5 81.69 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.285 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 12.7 p -57.06 -47.23 81.47 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 120.449 0.166 . . . . 0.0 111.219 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.93 -36.0 80.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.286 -175.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -69.24 -47.98 63.18 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.56 0.219 . . . . 0.0 110.598 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 177' ' ' TRP . 36.8 mt -59.72 -40.67 88.74 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.689 0.28 . . . . 0.0 110.988 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -66.01 -42.39 89.77 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.043 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -61.9 -42.06 98.63 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 120.705 0.288 . . . . 0.0 110.559 176.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 8.1 t -62.91 -45.03 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.048 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.91 -36.63 84.01 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.069 -177.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.26 -22.64 22.61 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.13 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 6.2 t -116.99 -21.59 8.85 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -131.75 6.66 4.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -139.32 15.57 2.59 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 120.63 0.252 . . . . 0.0 110.993 176.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 120.968 0.413 . . . . 0.0 110.77 177.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.976 0 C4'-C3'-C2' 99.849 -2.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.592 -3.108 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.122 -3.578 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.299 0 C3'-C2'-C1' 103.841 2.601 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.441 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.544 2.592 1 O5'-C5'-C4' 116.24 4.314 . 0.312 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.698 0 O4'-C4'-C3' 110.614 3.653 . 0.688 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C4'-C3'-C2' 99.655 -3.045 . 0.607 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 1 C3'-C2'-C1' 97.7 -4.223 . 0.669 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.415 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.36 -3.34 . 0.686 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 C4'-C3'-C2' 99.743 -2.957 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 C5'-C4'-O4' 114.486 3.775 . 0.218 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 C5'-C4'-C3' 110.45 -3.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.511 0 O5'-C5'-C4' 113.041 2.03 . 0.158 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.369 0 C3'-C2'-C1' 103.916 2.685 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.881 1 C5'-C4'-C3' 108.235 -4.843 . 0.436 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.036 -3.664 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.966 1 C4'-C3'-C2' 98.263 -4.437 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.389 0 C4'-C3'-C2' 99.097 -3.603 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 98.739 -3.961 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 1 C4'-C3'-C2' 98.377 -4.323 . 0.629 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 98.733 -3.967 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 C4'-C3'-C2' 100.435 -2.265 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 1 C5'-C4'-C3' 109.006 -4.329 . 0.763 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C5'-C4'-O4' 114.149 3.535 . 0.407 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.981 1 C3'-C2'-C1' 95.909 -6.212 . 0.487 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.643 0 C4'-C3'-C2' 99.014 -3.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 P-O3'-C3' 124.669 4.141 . 0.732 '#a' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.716 0 C4'-C3'-C2' 100.006 -2.694 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 C4'-C3'-C2' 99.303 -3.397 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.08 -3.62 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 C5'-C4'-O4' 112.866 2.619 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C4'-C3'-C2' 99.25 -3.45 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.48 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.171 0 C3'-C2'-C1' 102.919 1.577 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 0 O5'-C5'-C4' 112.681 1.772 . 0.094 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.48 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O5'-C5'-C4' 113.892 2.637 . 0.726 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 P-O3'-C3' 123.023 2.769 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.033 1 C4'-C3'-C2' 96.882 -5.818 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 1 C5'-C4'-O4' 115.258 4.327 . 0.534 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 1 C4'-C3'-C2' 98.277 -4.423 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.684 0 C4'-C3'-C2' 98.955 -3.745 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C4'-C3'-C2' 99.585 -3.115 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C4'-C3'-C2' 100.869 -1.831 . 0.954 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.955 0 P-O3'-C3' 123.152 2.877 . 0.182 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.918 0 C4'-C3'-C2' 99.404 -3.296 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.012 -3.688 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 98.861 -3.839 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 98.779 -3.921 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C4'-C3'-C2' 98.87 -3.83 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.792 1 C4'-C3'-C2' 98.553 -4.147 . 0.857 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.013 0 C4'-C3'-C2' 99.361 -3.339 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 O4'-C4'-C3' 109.511 2.865 . 0.645 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.776 0 C5'-C4'-C3' 109.781 -3.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 98.829 -3.871 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.028 0 C4'-C3'-C2' 99.1 -3.6 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 0 C4'-C3'-C2' 99.956 -2.744 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 120.847 0.355 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.15 123.38 49.11 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.14 139.02 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.664 -169.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 52.9 t -77.85 128.02 33.31 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.481 171.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -110.18 24.25 13.25 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 -177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.91 153.93 27.71 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 170.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.88 114.73 2.02 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.807 0.337 . . . . 0.0 111.173 -172.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.2 t30 69.76 15.08 8.06 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.51 -78.94 0.25 Allowed 'General case' 0 CA--C 1.562 1.432 0 CA-C-O 120.739 0.304 . . . . 0.0 110.935 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.39 15.97 77.26 Favored Glycine 0 CA--C 1.553 2.467 0 CA-C-N 116.314 -0.403 . . . . 0.0 113.459 174.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.0 tttp -70.26 142.68 52.28 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 117.467 0.634 . . . . 0.0 110.599 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.41 136.88 54.99 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 120.933 0.397 . . . . 0.0 111.194 -173.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.21 156.13 40.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.951 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -61.45 -44.39 97.2 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.011 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.573 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 18.8 mttp -139.17 155.74 47.62 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -171.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -63.75 -28.65 70.03 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.12 -169.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -63.76 -36.8 85.08 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 122.285 -0.259 . . . . 0.0 110.696 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.01 -35.74 66.88 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.766 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.15 -47.2 85.6 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.59 0.233 . . . . 0.0 110.552 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -61.02 -38.64 86.81 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.73 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.619 HG21 HD23 ' A' ' 148' ' ' LEU . 11.0 t -60.22 -41.31 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 175.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.425 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 77.9 t60 -69.14 -44.98 71.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.244 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -65.82 -31.77 72.92 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.426 0.155 . . . . 0.0 111.291 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.8 54.92 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.103 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.6 p -69.63 -40.83 76.32 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.379 -0.201 . . . . 0.0 111.399 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -68.73 -36.42 78.4 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 177.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 58.6 p -82.29 -18.79 41.1 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.0 30.54 16.34 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.331 0.652 . . . . 0.0 111.978 -176.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -128.94 157.08 42.62 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.391 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 41.9 mt -96.5 131.19 28.82 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-O 120.644 0.259 . . . . 0.0 111.316 -169.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.8 Cg_endo -78.63 -37.5 0.65 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.5 2.133 . . . . 0.0 113.326 -170.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 88.7 m-85 -96.72 95.48 7.95 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.866 0.365 . . . . 0.0 110.623 -169.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.23 142.93 29.29 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.1 t -76.37 122.09 86.1 Favored Pre-proline 0 CA--C 1.564 1.486 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -91.42 5.17 3.92 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.862 2.375 . . . . 0.0 113.23 -173.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -63.77 143.66 57.67 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -67.37 107.44 2.42 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 107.94 -1.55 33.67 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.523 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 5.6 t -112.43 157.49 20.99 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -149.85 13.01 0.79 Allowed 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.56 -176.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -66.57 149.1 50.97 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 120.744 0.307 . . . . 0.0 110.808 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -133.29 152.19 51.92 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 155' ' ' HIS . 64.6 m-85 -134.1 163.99 28.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.414 -169.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.6 m -84.99 -25.31 27.82 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.696 -173.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 124' ' ' VAL . 17.3 mt -136.73 154.78 76.71 Favored Pre-proline 0 N--CA 1.473 0.702 0 CA-C-O 120.692 0.282 . . . . 0.0 111.015 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 18.5 Cg_endo -66.08 -34.97 35.64 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.527 2.151 . . . . 0.0 112.162 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 89.1 p -64.7 -34.28 77.93 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.005 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.63 -39.15 67.46 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.8 tp -66.18 -45.38 81.07 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.759 172.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.83 -39.18 77.07 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -68.97 -37.72 78.96 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.898 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 146' ' ' PHE . 79.6 t60 -63.37 -38.78 92.48 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.48 0.181 . . . . 0.0 111.112 175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.75 -31.28 68.19 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.611 0.243 . . . . 0.0 110.609 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -59.63 -25.7 64.88 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.075 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.476 HG22 " H2'" ' B' ' 5' ' ' ' C' . 34.4 t -61.71 -42.38 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 175.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -76.35 -30.96 57.83 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.178 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.91 -29.08 65.04 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-O 120.644 0.259 . . . . 0.0 111.08 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 93.28 168.45 38.85 Favored Glycine 0 CA--C 1.536 1.394 0 CA-C-N 116.417 -0.356 . . . . 0.0 112.411 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.05 144.92 15.2 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.43 2.087 . . . . 0.0 112.493 -172.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 5.9 t -71.75 140.16 49.39 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.022 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -137.69 12.02 2.94 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.466 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -68.26 -21.88 64.79 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.243 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.21 143.8 25.22 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.815 0.34 . . . . 0.0 110.763 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -65.29 -27.67 68.79 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.358 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 63.9 m -98.27 16.86 20.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.272 0.229 . . . . 0.0 111.27 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.87 162.42 15.47 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 171.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 79.5 p -149.87 0.76 0.48 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -65.3 136.56 56.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.731 0.3 . . . . 0.0 111.185 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 46.3 t -128.33 120.66 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.223 169.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -86.19 141.5 18.37 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.249 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -68.01 -21.25 65.05 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.523 0.201 . . . . 0.0 111.14 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.54 161.08 41.24 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 120.937 0.398 . . . . 0.0 110.734 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.421 ' CE2' HD11 ' A' ' 181' ' ' LEU . 25.0 t-105 -57.89 -40.09 79.44 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.328 -175.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.7 p -57.4 -45.16 84.82 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.095 177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.34 -33.72 76.15 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.359 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.71 -48.14 49.29 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.615 0.245 . . . . 0.0 110.682 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 177' ' ' TRP . 60.8 mt -60.32 -40.0 89.03 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -65.42 -42.15 92.81 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.975 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -61.88 -40.36 95.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.718 0.294 . . . . 0.0 110.667 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.6 t -61.59 -44.97 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.152 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.73 71.7 Favored 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 120.786 0.326 . . . . 0.0 111.024 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -89.14 -28.79 19.81 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.868 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 73.0 m -114.34 -17.41 11.81 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -135.17 25.44 3.54 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.625 0.25 . . . . 0.0 111.519 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.76 -55.9 0.18 Allowed 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.778 174.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 121.002 0.43 . . . . 0.0 110.904 177.704 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.106 0 C4'-C3'-C2' 99.161 -3.539 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 C4'-C3'-C2' 99.209 -3.491 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 99.193 -3.507 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C3'-C2'-C1' 103.81 2.567 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.476 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C2'--C1' 1.5 -2.759 0 O3'-P-O5' 110.402 3.37 . 0.249 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O5'-C5'-C4' 116.176 4.268 . 0.629 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C4'-C3'-C2' 99.198 -3.502 . 0.578 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 1 C3'-C2'-C1' 97.46 -4.489 . 0.703 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.642 -3.058 . 0.645 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.074 0 C4'-C3'-C2' 100.105 -2.595 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C5'-C4'-O4' 114.338 3.67 . 0.201 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.545 0 C5'-C4'-C3' 110.406 -3.396 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.435 0 O5'-C5'-C4' 113.121 2.087 . 0.173 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.405 0 C5'-C4'-C3' 111.651 -2.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.887 1 C5'-C4'-C3' 107.943 -5.038 . 0.488 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.215 -3.485 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.408 ' C5 ' ' C5 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.996 0 C4'-C3'-C2' 98.783 -3.917 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . 0.408 ' C5 ' ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.409 1 C4'-C3'-C2' 98.183 -4.517 . 0.91 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 1 C4'-C3'-C2' 97.865 -4.835 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.711 0 C4'-C3'-C2' 98.908 -3.792 . 0.561 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.414 -3.286 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 99.808 -2.892 . 0.927 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 C5'-C4'-C3' 109.331 -4.113 . 0.514 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 1 C5'-C4'-O4' 114.833 4.024 . 0.224 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.423 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.538 2.129 1 C3'-C2'-C1' 96.088 -6.013 . 0.339 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.573 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.547 2.811 1 C3'-C2'-C1' 97.608 -4.324 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 0 P-O3'-C3' 124.068 3.64 . 0.698 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 C4'-C3'-C2' 100.15 -2.55 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C4'-C3'-C2' 99.302 -3.398 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C4'-C3'-C2' 99.014 -3.686 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.266 0 C5'-C4'-O4' 112.877 2.627 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.294 -3.406 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.479 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.102 0 C3'-C2'-C1' 102.894 1.549 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.664 0 O5'-C5'-C4' 112.739 1.814 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.479 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.463 0 O5'-C5'-C4' 113.927 2.662 . 0.73 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 P-O3'-C3' 123.069 2.807 . 0.359 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 1 C4'-C3'-C2' 96.952 -5.748 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.548 1 C5'-C4'-O4' 115.338 4.384 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 C4'-C3'-C2' 98.293 -4.407 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.747 0 C4'-C3'-C2' 99.176 -3.524 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 100.132 -2.568 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C3'-C2'-C1' 99.875 -1.805 . 0.96 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.86 0 P-O3'-C3' 123.101 2.834 . 0.179 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.908 0 C4'-C3'-C2' 99.505 -3.195 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C4'-C3'-C2' 98.776 -3.924 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 C4'-C3'-C2' 98.647 -4.053 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 C4'-C3'-C2' 98.857 -3.843 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 98.737 -3.963 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.722 1 C4'-C3'-C2' 98.444 -4.256 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.907 0 C4'-C3'-C2' 99.368 -3.332 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 C5'-C4'-C3' 111.7 -2.533 . 0.761 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.545 0 C5'-C4'-C3' 110.241 -3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 98.955 -3.745 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.816 0 C4'-C3'-C2' 98.917 -3.783 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.888 -2.812 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 CA-C-O 120.853 0.359 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -109.11 123.16 48.74 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.351 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.91 138.98 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.694 -169.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 48.9 t -77.71 128.39 33.98 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.489 171.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -110.38 24.18 13.32 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.906 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.63 154.74 24.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 170.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.71 114.77 2.2 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-O 120.85 0.357 . . . . 0.0 111.15 -171.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.9 t30 69.71 15.11 8.11 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.727 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 42.2 t -84.81 -78.65 0.24 Allowed 'General case' 0 CA--C 1.563 1.451 0 CA-C-O 120.74 0.305 . . . . 0.0 110.988 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 73.13 13.63 79.35 Favored Glycine 0 CA--C 1.555 2.531 0 CA-C-N 116.29 -0.414 . . . . 0.0 113.431 174.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 38.4 tttp -69.65 143.21 53.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 117.516 0.658 . . . . 0.0 110.693 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.81 136.96 55.04 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 120.901 0.381 . . . . 0.0 111.156 -173.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -126.2 155.93 41.01 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.252 -174.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' HE3' ' HZ1' ' A' ' 118' ' ' LYS . 38.1 tttp -64.64 -40.39 95.37 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 178.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.449 ' HZ1' ' HE3' ' A' ' 117' ' ' LYS . 12.4 mmtp -134.15 148.02 50.88 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.79 0.329 . . . . 0.0 110.623 -172.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -61.77 -28.65 69.6 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.505 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -63.87 -35.03 79.31 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 122.409 -0.182 . . . . 0.0 110.925 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -73.08 -37.0 66.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 120.61 0.243 . . . . 0.0 110.735 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.9 tp -61.66 -47.16 86.61 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.836 0.35 . . . . 0.0 110.472 174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.71 -40.71 84.5 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.734 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.669 HG21 HD13 ' A' ' 148' ' ' LEU . 9.6 t -60.16 -41.19 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.838 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.415 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.0 t60 -69.16 -45.05 70.98 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.573 0.225 . . . . 0.0 111.268 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -65.89 -31.73 72.83 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.354 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -28.82 54.11 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-O 120.427 0.156 . . . . 0.0 110.879 175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.2 t -67.91 -46.82 70.48 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 122.402 -0.186 . . . . 0.0 111.227 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -64.29 -36.37 83.89 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 120.769 0.318 . . . . 0.0 111.011 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 64.8 p -82.27 -18.59 41.86 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.88 30.8 16.56 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.358 0.663 . . . . 0.0 112.0 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -129.43 155.93 44.9 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.339 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.2 mt -95.6 132.48 27.37 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-O 120.677 0.275 . . . . 0.0 111.108 -169.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -78.69 -36.48 0.83 Allowed 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.475 2.117 . . . . 0.0 113.206 -171.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 80.2 m-85 -99.45 94.09 6.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-O 120.914 0.387 . . . . 0.0 110.6 -169.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -97.15 139.49 33.05 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.634 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.2 t -73.91 121.01 84.15 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.606 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.59 4.34 4.0 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.801 2.334 . . . . 0.0 113.449 -171.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -69.09 147.59 51.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.03 127.98 33.86 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.748 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.14 -0.04 83.44 Favored Glycine 0 CA--C 1.547 2.082 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.658 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.2 t -112.7 149.63 32.65 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -141.06 12.48 2.22 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -178.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -65.88 145.69 55.63 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.857 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -134.15 152.74 51.97 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.339 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -134.09 157.92 44.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.95 -169.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 p -82.38 -27.41 32.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.419 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.669 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -129.63 155.23 80.62 Favored Pre-proline 0 N--CA 1.477 0.912 0 O-C-N 123.081 0.238 . . . . 0.0 110.783 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 23.0 Cg_endo -67.3 -34.76 26.29 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.442 2.095 . . . . 0.0 112.068 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.9 p -62.24 -35.32 78.57 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.08 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -73.01 -37.58 66.89 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.036 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.74 -46.74 74.47 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 120.729 0.299 . . . . 0.0 110.75 173.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -38.5 81.1 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.843 177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -69.5 -40.83 76.78 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.889 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.89 -33.77 72.27 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.032 174.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.42 -31.2 67.51 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 120.561 0.22 . . . . 0.0 110.887 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -59.57 -25.7 64.79 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.262 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.472 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.8 t -61.85 -41.24 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-O 120.705 0.288 . . . . 0.0 110.598 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -77.11 -32.67 56.7 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.287 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.02 64.93 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.7 0.286 . . . . 0.0 111.0 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 87.79 174.13 48.06 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 112.61 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -124.12 94.82 44.82 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.545 0.338 . . . . 0.0 110.244 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -79.95 142.21 15.48 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.356 2.037 . . . . 0.0 112.39 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.45 140.22 49.95 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.993 179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -139.75 11.7 2.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.448 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.29 -20.8 63.9 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.125 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -151.29 145.42 25.33 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 120.831 0.348 . . . . 0.0 110.667 177.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.61 -27.58 68.5 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.554 -175.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 58.2 m -98.99 20.13 13.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 120.561 0.22 . . . . 0.0 111.194 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.6 t -114.48 130.31 56.72 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.174 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 47.3 m -131.48 15.66 4.96 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.536 -171.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.66 141.58 56.62 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.603 0.24 . . . . 0.0 110.918 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.5 t -128.36 122.37 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-O 120.846 0.355 . . . . 0.0 110.346 170.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.72 133.22 11.63 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.114 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -66.8 -15.03 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 122.754 -0.262 . . . . 0.0 111.297 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 162.28 40.97 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 120.841 0.353 . . . . 0.0 110.411 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.439 ' CE2' HD11 ' A' ' 181' ' ' LEU . 29.9 t-105 -57.64 -39.78 77.76 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.275 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.8 p -58.19 -46.69 85.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.477 0.18 . . . . 0.0 111.186 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.88 -35.26 79.42 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.264 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -69.33 -48.18 62.2 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.553 0.216 . . . . 0.0 110.622 175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 177' ' ' TRP . 39.6 mt -60.62 -40.93 93.71 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 120.651 0.263 . . . . 0.0 110.975 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.92 -44.08 93.98 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -61.93 -41.43 97.94 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.777 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.8 -45.11 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.084 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.92 71.61 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 120.764 0.316 . . . . 0.0 110.795 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -89.24 -22.85 22.53 Favored 'General case' 0 CA--C 1.561 1.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.056 -174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 -19.02 6.17 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -169.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -135.53 17.03 3.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 120.564 0.221 . . . . 0.0 111.58 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -150.81 176.5 11.0 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.856 0.36 . . . . 0.0 110.753 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 4.2 p30 . . . . . 0 N--CA 1.475 0.79 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.815 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.346 0 C4'-C3'-C2' 99.534 -3.166 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C4'-C3'-C2' 99.489 -3.211 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 98.973 -3.727 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.46 -3.24 . 0.947 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.472 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.539 2.234 0 O5'-C5'-C4' 115.39 3.707 . 0.283 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.727 0 O4'-C4'-C3' 110.602 3.645 . 0.667 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C4'-C3'-C2' 99.291 -3.409 . 0.593 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 C3'-C2'-C1' 97.715 -4.206 . 0.67 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.417 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.112 -3.588 . 0.704 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.934 0 C4'-C3'-C2' 99.765 -2.935 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 1 C5'-C4'-O4' 115.317 4.369 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 0 C5'-C4'-C3' 110.001 -3.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.52 0 C3'-C2'-C1' 99.664 -2.04 . 0.115 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.459 0 O5'-C5'-C4' 114.547 3.105 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.873 0 C5'-C4'-O4' 114.211 3.579 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 C4'-C3'-C2' 98.692 -4.008 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 1 C4'-C3'-C2' 98.198 -4.502 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 C4'-C3'-C2' 98.846 -3.854 . 0.936 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 1 C4'-C3'-C2' 98.282 -4.418 . 0.939 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 1 C4'-C3'-C2' 98.114 -4.586 . 0.556 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 1 C4'-C3'-C2' 98.633 -4.067 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O5'-C5'-C4' 113.846 2.605 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C5'-C4'-C3' 109.833 -3.778 . 0.67 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C5'-C4'-O4' 114.438 3.741 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 2 C3'-C2'-C1' 95.76 -6.377 . 0.365 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.942 0 P-O3'-C3' 123.993 3.578 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 P-O3'-C3' 124.354 3.878 . 0.729 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.838 0 C4'-C3'-C2' 99.841 -2.859 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 99.071 -3.629 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.921 0 C4'-C3'-C2' 98.927 -3.773 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.146 0 C5'-C4'-O4' 112.841 2.601 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 99.271 -3.429 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.476 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.062 0 C3'-C2'-C1' 102.892 1.547 . 0.882 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.535 0 O5'-C5'-C4' 112.651 1.751 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.476 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O5'-C5'-C4' 113.925 2.661 . 0.727 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 P-O3'-C3' 123.027 2.773 . 0.36 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 1 C4'-C3'-C2' 96.929 -5.771 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.515 1 C5'-C4'-O4' 115.308 4.363 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 1 C4'-C3'-C2' 98.149 -4.551 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.908 0 O5'-C5'-C4' 115.505 3.789 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 C4'-C3'-C2' 99.422 -3.278 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 C4'-C3'-C2' 100.934 -1.766 . 0.923 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.798 0 P-O3'-C3' 123.134 2.862 . 0.201 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.402 -3.298 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C4'-C3'-C2' 98.912 -3.788 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 C4'-C3'-C2' 98.577 -4.123 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 C4'-C3'-C2' 98.68 -4.02 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 98.849 -3.851 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 1.753 1 C4'-C3'-C2' 98.597 -4.103 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.946 0 C4'-C3'-C2' 99.519 -3.181 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.148 0 O4'-C4'-C3' 109.761 3.044 . 0.571 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.689 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C4'-C3'-C2' 98.776 -3.924 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.947 0 C4'-C3'-C2' 98.974 -3.726 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.907 -2.793 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -109.27 122.81 48.15 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.438 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.2 t -110.83 139.03 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.485 -169.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.0 t -79.43 128.35 33.24 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.523 171.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.48 24.06 13.45 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.948 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -61.18 154.68 22.67 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.197 170.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.41 114.76 1.95 Allowed 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 120.762 0.315 . . . . 0.0 111.162 -172.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.8 15.08 8.01 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.616 174.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 46.0 t -85.16 -78.22 0.26 Allowed 'General case' 0 CA--C 1.565 1.536 0 CA-C-O 120.651 0.262 . . . . 0.0 111.071 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.82 14.49 73.01 Favored Glycine 0 CA--C 1.553 2.461 0 CA-C-N 116.383 -0.372 . . . . 0.0 113.457 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 125' ' ' HIS . 37.3 tttp -70.13 144.56 52.0 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-N 117.457 0.629 . . . . 0.0 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -122.93 136.56 54.91 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -126.35 160.03 31.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.12 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -61.48 -47.08 87.27 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.232 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.586 ' HE3' " O4'" ' B' ' 26' ' ' ' G' . 10.6 mttp -137.3 156.85 47.76 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.879 -170.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -60.6 -28.34 68.42 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.542 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -63.7 -37.23 86.56 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 122.291 -0.255 . . . . 0.0 110.777 178.199 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.09 -37.77 66.62 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.683 0.277 . . . . 0.0 110.68 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.41 -47.09 87.36 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-O 120.837 0.351 . . . . 0.0 110.575 174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.63 -37.18 80.61 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.708 176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 148' ' ' LEU . 11.2 t -62.71 -41.23 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 114' ' ' LYS . 78.9 t60 -69.5 -45.01 69.92 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.212 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.5 -31.8 73.07 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.195 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -28.86 55.04 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.806 174.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -69.22 -46.31 67.7 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.361 -0.212 . . . . 0.0 111.204 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -63.88 -36.27 83.38 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.783 0.325 . . . . 0.0 111.071 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 74.0 p -83.24 -19.89 35.57 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.1 31.83 20.64 Favored 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 123.291 0.637 . . . . 0.0 111.896 -175.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -130.62 156.37 45.0 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 169.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 134' ' ' PRO . 40.2 mt -94.56 131.97 29.76 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-O 120.659 0.266 . . . . 0.0 111.038 -170.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 133' ' ' LEU . 9.4 Cg_endo -78.82 -36.69 0.74 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.551 2.167 . . . . 0.0 113.266 -171.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 149' ' ' PRO . 78.4 m-85 -100.87 94.05 5.84 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.549 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -100.81 141.76 33.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.917 0.389 . . . . 0.0 110.939 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.9 t -74.06 121.06 84.29 Favored Pre-proline 0 CA--C 1.564 1.489 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.489 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -91.57 5.52 3.77 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.857 2.371 . . . . 0.0 113.313 -172.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -68.41 151.97 46.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.939 0.4 . . . . 0.0 111.042 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -66.74 130.75 44.19 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.966 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 81.21 2.25 90.39 Favored Glycine 0 CA--C 1.549 2.18 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.767 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.9 t -114.48 150.95 34.03 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.844 0.354 . . . . 0.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -148.15 15.27 1.04 Allowed 'General case' 0 CA--C 1.556 1.19 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.23 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -63.02 146.21 53.7 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.752 0.311 . . . . 0.0 110.619 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -134.34 152.62 51.91 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.355 175.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -134.04 158.75 42.76 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.977 -169.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 p -83.09 -27.97 29.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.47 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 124' ' ' VAL . 4.3 mm? -128.99 155.84 79.06 Favored Pre-proline 0 N--CA 1.48 1.03 0 CA-C-O 120.61 0.243 . . . . 0.0 110.695 -178.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 135' ' ' TYR . 25.3 Cg_endo -67.14 -33.77 30.31 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.376 2.051 . . . . 0.0 112.164 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.4 p -62.37 -35.76 80.16 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.718 0.294 . . . . 0.0 111.062 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -73.08 -37.14 66.89 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 34.9 tp -66.87 -45.64 77.48 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 172.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -58.15 -39.54 79.06 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.867 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -69.89 -40.16 75.84 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.969 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -59.12 -33.7 71.18 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.43 -30.99 67.32 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 120.593 0.235 . . . . 0.0 110.847 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -59.43 -25.86 64.69 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.153 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.495 HG22 " H2'" ' B' ' 5' ' ' ' C' . 21.4 t -61.92 -43.13 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 120.608 0.242 . . . . 0.0 110.776 175.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -77.09 -29.69 55.07 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.294 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.83 -26.99 63.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-O 120.742 0.306 . . . . 0.0 110.777 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 83.28 173.66 49.84 Favored Glycine 0 CA--C 1.529 0.967 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.403 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -124.06 94.68 45.15 Favored Pre-proline 0 C--O 1.236 0.365 0 C-N-CA 122.478 0.311 . . . . 0.0 110.19 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.8 142.1 13.9 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 122.347 2.032 . . . . 0.0 112.332 -174.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' CYS . . . . . . . . . . . . . 4.2 t -72.19 139.31 48.15 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.053 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -139.5 11.78 2.53 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.439 174.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -68.46 -21.76 64.61 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -150.42 143.33 24.73 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.772 0.32 . . . . 0.0 110.614 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.34 -23.71 66.4 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.589 -174.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 68.8 m -101.56 22.04 13.36 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 120.593 0.235 . . . . 0.0 111.115 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.64 132.01 56.76 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.148 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.1 m -131.8 16.15 4.78 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.509 -172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -62.09 141.32 58.19 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.661 0.267 . . . . 0.0 110.85 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.3 123.09 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 120.835 0.35 . . . . 0.0 110.344 170.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . -85.43 133.32 11.71 Favored Glycine 0 N--CA 1.472 1.094 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.996 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.33 -14.79 63.24 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 122.74 -0.271 . . . . 0.0 111.213 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 161.67 42.21 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.752 0.31 . . . . 0.0 110.367 176.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 181' ' ' LEU . 28.3 t-105 -57.37 -40.22 77.69 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.277 -176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 p -57.66 -47.01 83.47 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 116.863 -0.153 . . . . 0.0 111.198 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 70.7 mt -62.18 -35.47 78.94 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.415 0.15 . . . . 0.0 111.199 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.46 -48.23 61.48 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.646 0.26 . . . . 0.0 110.648 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 177' ' ' TRP . 43.0 mt -60.09 -40.98 91.5 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -63.97 -43.79 94.7 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -61.96 -42.89 99.63 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.866 176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.9 t -62.11 -45.09 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.124 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -63.31 -32.46 73.89 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 120.717 0.294 . . . . 0.0 110.984 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.17 -28.66 19.86 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.925 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' CYS . . . . . . . . . . . . . 74.1 m -112.02 -20.21 12.05 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -134.92 15.78 3.56 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -140.75 -52.2 0.47 Allowed 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 120.458 0.17 . . . . 0.0 111.043 175.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 121.081 0.467 . . . . 0.0 110.797 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C4'-C3'-C2' 99.069 -3.631 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C4'-C3'-C2' 99.349 -3.351 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 99.182 -3.518 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 C4'-C3'-C2' 100.016 -2.684 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . 0.495 " H2'" HG22 ' A' ' 158' ' ' VAL . . . . . . . . 0 C5'--C4' 1.538 2.117 0 O5'-C5'-C4' 113.475 2.34 . 0.338 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.947 0 O4'-C4'-C3' 111.099 4.0 . 0.651 4a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 P-O3'-C3' 123.961 3.551 . 0.585 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 1 C3'-C2'-C1' 97.763 -4.152 . 0.673 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' C' . . . . . 0.436 " H4'" HD22 ' A' ' 181' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.195 -3.505 . 0.707 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.0 0 C4'-C3'-C2' 99.81 -2.89 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 C5'-C4'-O4' 115.274 4.339 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.657 0 C5'-C4'-C3' 109.978 -3.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.628 0 C3'-C2'-C1' 99.576 -2.137 . 0.113 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.526 0 O5'-C5'-C4' 114.586 3.133 . 0.01 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.905 0 C5'-C4'-O4' 114.303 3.645 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 98.752 -3.948 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 1 C4'-C3'-C2' 98.169 -4.531 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 0 C4'-C3'-C2' 99.226 -3.474 . 0.938 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 C4'-C3'-C2' 99.064 -3.636 . 0.934 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 C4'-C3'-C2' 98.272 -4.428 . 0.594 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 1 C4'-C3'-C2' 98.481 -4.219 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 99.831 -2.869 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C5'-C4'-C3' 112.253 -2.165 . 0.855 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C5'-C4'-O4' 113.701 3.215 . 0.398 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.402 ' N3 ' ' HE2' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 2.081 1 C3'-C2'-C1' 95.885 -6.238 . 0.462 5z . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.586 " O4'" ' HE3' ' A' ' 118' ' ' LYS . . . . . . . . 0 C5'--C4' 1.546 2.754 1 C3'-C2'-C1' 97.328 -4.636 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 P-O3'-C3' 124.388 3.907 . 0.725 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.936 0 C4'-C3'-C2' 99.807 -2.893 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.084 0 C4'-C3'-C2' 99.06 -3.64 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.868 0 C4'-C3'-C2' 98.994 -3.706 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.16 0 C5'-C4'-O4' 112.706 2.504 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 99.221 -3.479 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.477 " H2'" ' C5 ' ' B' ' 35' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.096 0 C4'-C3'-O3' 114.549 1.519 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.594 0 O5'-C5'-C4' 112.682 1.773 . 0.095 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 O5'-C5'-C4' 113.949 2.678 . 0.728 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 P-O3'-C3' 123.062 2.802 . 0.361 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.006 1 C4'-C3'-C2' 96.966 -5.734 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 1 C5'-C4'-O4' 115.321 4.372 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 C4'-C3'-C2' 98.09 -4.61 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 1 C4'-C3'-C2' 98.681 -4.019 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 C4'-C3'-C2' 100.286 -2.414 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 100.589 -2.111 . 0.956 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 0 P-O3'-C3' 123.009 2.757 . 0.205 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C4'-C3'-C2' 99.451 -3.249 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C4'-C3'-C2' 99.026 -3.674 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 1 C4'-C3'-C2' 98.681 -4.019 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 C4'-C3'-C2' 98.616 -4.084 . 0.6 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 98.859 -3.841 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.739 1 C4'-C3'-C2' 98.624 -4.076 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 C4'-C3'-C2' 99.402 -3.298 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 0 O4'-C4'-C3' 109.655 2.968 . 0.65 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.648 0 C5'-C4'-C3' 111.001 -3.0 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.103 0 C4'-C3'-C2' 98.763 -3.937 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.007 0 C4'-C3'-C2' 98.947 -3.753 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C4'-C3'-C2' 99.964 -2.736 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_